Dataset

Forbisen; LC-ESI-QTOF; MS2; CE: 30.3 eV; R=30000-60000; [M+H]+

This MassBank record with Accession MSBNK-UvA_IBED-UI000501 contains the MS2 mass spectrum of Forbisen with the InChIkey ANYXUEIQQWKBQV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H22N4O2/c1-15-19(21(27)25(23(15)3)17-11-7-5-8-12-17)20-16(2)24(4)26(22(20)28)18-13-9-6-10-14-18/h5-14H,1-4H3
SMILES CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C
InChI Key ANYXUEIQQWKBQV-UHFFFAOYSA-N
Molecular Formula C22H22N4O2
Exact Mass 374.174 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UvA_IBED-UI000501
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MetadataPublished 2024-08-27
Related Molecule
  • 4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,5-dimethyl-2-phenylpyrazol-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10604 PubChem
    DTXSID70199652 EPA CompTox Dashboard
    ZINC000000537759 ZINC
    517-83-9 ACToR
    SCHEMBL588715 SureChEMBL
    35867430 eMolecules
    QP79EQ89N3 FDA SRS
    J522.581G Nikkaji
    The data in this table is sourced from UniChem at EBI.