Dataset

Enzalutamide; LC-ESI-QFT; MS2; CE: 45%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01104153 contains the MS2 mass spectrum of Enzalutamide with the InChIkey WXCXUHSOUPDCQV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
SMILES CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C
InChI Key WXCXUHSOUPDCQV-UHFFFAOYSA-N
Molecular Formula C21H16F4N4O2S
Exact Mass 464.093 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-EQ01104153
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MetadataPublished 2024-06-14
Related Molecule
  • 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-methylbenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB08899 drugbank
    CHEBI:68534 chebi
    CHEMBL1082407 chembl
    189749 surechembl
    29352764 surechembl
    15951529 pubchem
    93T0T9GKNU fdasrs
    6812 gtopdb
    PD004101 probes_and_drugs
    YEXGEQ CCDC
    HMDB0251831 hmdb
    Molport-009-679-470 molport
    4628 drugcentral
    50425732 bindingdb
    The data in this table is sourced from UniChem at EBI.