Dataset

Cyazofamid; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL23111019030 contains the MS2 mass spectrum of Cyazofamid with the InChIkey YXKMMRDKEKCERS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3
SMILES CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)Cl
InChI Key YXKMMRDKEKCERS-UHFFFAOYSA-N
Molecular Formula C13H13ClN4O2S
Exact Mass 324.045 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111019030
Version
Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1863429 ChEMBL
    C18573 KEGG Ligand
    XIGWIV CCDC
    J1.067.646K Nikkaji
    DTXSID9034492 EPA CompTox Dashboard
    CB5485545 ChemicalBook
    ZINC000002526846 ZINC
    9862076 PubChem
    14826364 PubChem: Thomson Pharma
    81841 ChEBI
    SCHEMBL22923 SureChEMBL
    120116-88-3 ACToR
    QJC4S2YQ4B FDA SRS
    13732299 eMolecules
    The data in this table is sourced from UniChem at EBI.