Dataset

Bicalutamide; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00280905 contains the MS2 mass spectrum of Bicalutamide with the InChIkey LKJPYSCBVHEWIU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
SMILES CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
InChI Key LKJPYSCBVHEWIU-UHFFFAOYSA-N
Molecular Formula C18H14F4N2O4S
Exact Mass 430.061 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-EQ00280905
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MetadataPublished 2024-06-14
Related Molecule
  • N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01128 drugbank
    CHEBI:144093 chebi
    CHEMBL409 chembl
    29353850 surechembl
    3611 surechembl
    2375 pubchem
    A0Z3NAU9DP fdasrs
    2863 gtopdb
    PD000730 probes_and_drugs
    HMDB0015260 hmdb
    Molport-003-845-034 molport
    367 drugcentral
    18525 bindingdb
    The data in this table is sourced from UniChem at EBI.