Dataset

Tolfenpyrad

This MassBank record with Accession MSBNK-Eawag-EQ01140906 contains the MS2 mass spectrum of Tolfenpyrad with the InChIkey WPALTCMYPARVNV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)
SMILES CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)C)C
InChI Key WPALTCMYPARVNV-UHFFFAOYSA-N
Molecular Formula C21H22ClN3O2
Exact Mass 383.140 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-EQ01140906
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:28:42.405493
MetadataModified 2025-02-09T09:56:18.037399
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15099192 PubChem: Thomson Pharma
OHA74571QT FDA SRS
129558-76-5 ACToR
PD012344 ProbesDrugs
CB0381194 ChemicalBook
ZINC000034229401 ZINC
CHEMBL2229099 ChEMBL
10110536 PubChem
SCHEMBL26416 SureChEMBL
J1.215.839D Nikkaji
HY-17516 MedChemExpress
DTXSID6057952 EPA CompTox Dashboard
C18491 KEGG Ligand
38628 ChEBI
The data in this table is sourced from UniChem at EBI.