Dataset

Imidapril; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA001452 contains the MS mass spectrum of Imidapril with the InChIkey KLZWOWYOHUKJIG-BPUTZDHNSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1
SMILES CCOC(=O)C(CCc(c2)cccc2)NC(C)C(=O)N(C(=O)1)C(C(O)=O)CN(C)1
InChI Key KLZWOWYOHUKJIG-BPUTZDHNSA-N
Molecular Formula C20H27N3O6
Exact Mass 405.190 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001452
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (4S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB11783 drugbank
    CHEBI:135654 chebi
    CHEMBL317094 chembl
    34098 surechembl
    40466903 pubchem
    5464343 pubchem
    BW7H1TJS22 fdasrs
    PD013736 probes_and_drugs
    HMDB0041907 hmdb
    1424 drugcentral
    50020400 bindingdb
    The data in this table is sourced from UniChem at EBI.