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
    DB00238 drugbank
    CHEBI:63613 chebi
    NEV rcsb_pdb
    NIV rcsb_pdb
    NVP rcsb_pdb
    CHEMBL57 chembl
    29393780 surechembl
    29614675 surechembl
    30267890 surechembl
    3318 surechembl
    4463 pubchem
    99DK7FVK1H fdasrs
    NVP - Ideal conformer pdbe
    12676 gtopdb
    PD000851 probes_and_drugs
    PABHIJ CCDC
    186541 brenda
    1896 brenda
    HMDB0014383 hmdb
    Molport-002-507-817 molport
    1904 drugcentral
    1434 bindingdb
    The data in this table is sourced from UniChem at EBI.