Dataset

Lercanidipine; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01162801 contains the MS2 mass spectrum of Lercanidipine with the InChIkey ZDXUKAKRHYTAKV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3
SMILES CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
InChI Key ZDXUKAKRHYTAKV-UHFFFAOYSA-N
Molecular Formula C36H41N3O6
Exact Mass 611.300 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-EQ01162801
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MetadataPublished 2024-01-16
Related Molecule
  • 5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00528 drugbank
    CHEBI:135930 chebi
    CHEMBL250270 chembl
    25268 surechembl
    29541187 surechembl
    65866 pubchem
    V7XTJ4R0BH fdasrs
    PD009976 probes_and_drugs
    196829 brenda
    HMDB0014669 hmdb
    Molport-005-935-354 molport
    4157 drugcentral
    642527 bindingdb
    The data in this table is sourced from UniChem at EBI.