Dataset

Enzalutamide; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01104154 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-EQ01104154
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MetadataPublished 2024-06-14
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB62500946 ChemicalBook
    ZINC000034806477 ZINC
    enzalutamide DailyMed
    SCHEMBL189749 SureChEMBL
    15951529 PubChem
    PD004101 ProbesDrugs
    HC-1119 clinicaltrials
    HC1119 clinicaltrials
    DB08899 DrugBank
    93T0T9GKNU FDA SRS
    LSM-6254 LINCS
    MDV3100 Selleck
    22422973 PubChem: Thomson Pharma
    68534 ChEBI
    32176540 eMolecules
    HMDB0251831 Human Metabolome Database
    6812 Guide to Pharmacology
    XTANDI rxnorm
    ENZALUTAMIDE clinicaltrials
    XTANDI clinicaltrials
    MDV-3100 clinicaltrials
    MDV3100 clinicaltrials
    ENZALUTAMIDE DailyMed
    YEXGEQ CCDC
    4628 DrugCentral
    ENZALUTAMIDE rxnorm
    HY-70002 MedChemExpress
    J2.922.494C Nikkaji
    50425732 BindingDB
    125299336 PubChem: Drugs of the Future
    CHEMBL1082407 ChEMBL
    The data in this table is sourced from UniChem at EBI.