Dataset

Pipamperone; LC-ESI-QTOF; MS2; CE: Ramp 23.1-34.7 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU251406 contains the MS2 mass spectrum of Pipamperone with the InChIkey AXKPFOAXAHJUAG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)
SMILES NC(=O)C1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)N1CCCCC1
InChI Key AXKPFOAXAHJUAG-UHFFFAOYSA-N
Molecular Formula C21H30FN3O2
Exact Mass 375.232 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU251406
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MetadataPublished 2019-04-08
Related Molecule
  • 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000021297287 ZINC
    78549 ChEBI
    5402501F0W FDA SRS
    4830 PubChem
    1893-33-0 ACToR
    PD000333 ProbesDrugs
    SCHEMBL2412 SureChEMBL
    LSM-2586 LINCS
    14853332 PubChem: Thomson Pharma
    31593225 eMolecules
    PIPAMP CCDC
    R-3345 clinicaltrials
    R 3345 clinicaltrials
    HMDB0256570 Human Metabolome Database
    PIPAMPERONE clinicaltrials
    HY-100703 MedChemExpress
    J7.805K Nikkaji
    2181 DrugCentral
    DTXSID8048369 EPA CompTox Dashboard
    DB09286 DrugBank
    CB5497461 ChemicalBook
    81483 BindingDB
    PIPAMPERONE rxnorm
    CHEMBL440294 ChEMBL
    92 Guide to Pharmacology
    The data in this table is sourced from UniChem at EBI.