Dataset

Cyflufenamide

This MassBank record with Accession MSBNK-Waters-WA000068 contains the MS2 mass spectrum of Cyflufenamide with the InChIkey ACMXQHFNODYQAT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)
SMILES c(c3)ccc(c3)CC(=O)NC(=NOCC(C2)C2)c(c(F)1)c(ccc(F)1)C(F)(F)F
InChI Key ACMXQHFNODYQAT-UHFFFAOYSA-N
Molecular Formula C20H17F5N2O2
Exact Mass 412.121 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000068
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:42:55.664258
MetadataModified 2025-02-09T20:25:38.411698
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000033988475 ZINC
CHEMBL2251733 ChEMBL
SCHEMBL21751 SureChEMBL
14806454 PubChem: Thomson Pharma
81797 ChEBI
79ID05OQ82 FDA SRS
180409-60-3 ACToR
CB5734702 ChemicalBook
31260113 eMolecules
J1.611.015I Nikkaji
DTXSID30431727 EPA CompTox Dashboard
135973506 PubChem
135515530 PubChem
136257767 PubChem
C18516 KEGG Ligand
The data in this table is sourced from UniChem at EBI.