Dataset

Nevirapine; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01149803 contains the MS2 mass spectrum of Nevirapine with the InChIkey NQDJXKOVJZTUJA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
SMILES CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4
InChI Key NQDJXKOVJZTUJA-UHFFFAOYSA-N
Molecular Formula C15H14N4O
Exact Mass 266.117 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01149803
Version
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Maintainer
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MetadataPublished 2024-05-08
Related Molecule
  • 2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4463 PubChem
    60032853 NMRShiftDB
    PD000851 ProbesDrugs
    63613 ChEBI
    99DK7FVK1H FDA SRS
    14872507 PubChem: Thomson Pharma
    129618-40-2 ACToR
    SCHEMBL3318 SureChEMBL
    PA450616 PharmGKB
    Nevirapine(Viramune) Selleck
    LSM-5336 LINCS
    766252 eMolecules
    CB9743074 ChemicalBook
    nevirapine DailyMed
    HMDB0014383 Human Metabolome Database
    1896 Brenda
    MCULE-8608154492 Mcule
    SAM001246551 NIH Clinical Collection
    NVP PDBe
    12014582 PubChem: Drugs of the Future
    C07263 KEGG Ligand
    DB00238 DrugBank
    CHEMBL57 ChEMBL
    1904 DrugCentral
    ZINC000000004778 ZINC
    DTXSID7031797 EPA CompTox Dashboard
    HY-10570 MedChemExpress
    BIRG-0587 clinicaltrials
    BIRG 0587 clinicaltrials
    VIRAMUNE clinicaltrials
    NEVIRAPINE clinicaltrials
    VIRAMUNE rxnorm
    NEVIRAPINE rxnorm
    NEVIRAPINE DailyMed
    PABHIJ CCDC
    J420.601K Nikkaji
    1434 BindingDB
    The data in this table is sourced from UniChem at EBI.