Dataset

MK-274

This MassBank record with Accession MSBNK-LCSB-LU034256 contains the MS2 mass spectrum of MK-274 with the InChIkey OWSLGPREZQMVQP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H12F6N4O2/c19-11-4-5-13(30-8-17(20,21)18(22,23)24)12(7-11)9-2-1-3-10(6-9)15-26-16(14(25)29)28-27-15/h1-7H,8H2,(H2,25,29)(H,26,27,28)
SMILES NC(=O)C1=NC(=NN1)C1=CC=CC(=C1)C1=CC(F)=CC=C1OCC(F)(F)C(F)(F)F
InChI Key OWSLGPREZQMVQP-UHFFFAOYSA-N
Molecular Formula C18H12F6N4O2
Exact Mass 430.086 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU034256
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T18:28:02.258382
MetadataModified 2025-02-09T14:58:02.001986
MetadataPublished 2020-08-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL3306353 ChEMBL
DTXSID0047329 EPA CompTox Dashboard
ZINC000116074896 ZINC
852317-38-5 ACToR
16356537 PubChem: Thomson Pharma
11270356 PubChem
SCHEMBL1400056 SureChEMBL
The data in this table is sourced from UniChem at EBI.