Dataset

Chromafenozide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000052 contains the MS2 mass spectrum of Chromafenozide with the InChIkey HPNSNYBUADCFDR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)
SMILES Cc(c3)cc(cc(C)3)C(=O)N(NC(=O)c(c1)c(C)c(C2)c(OCC2)c1)C(C)(C)C
InChI Key HPNSNYBUADCFDR-UHFFFAOYSA-N
Molecular Formula C24H30N2O3
Exact Mass 394.226 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-WA000052
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000028654995 ZINC
    SCHEMBL73335 SureChEMBL
    10157484 PubChem
    143807-66-3 ACToR
    PD101200 ProbesDrugs
    2ODM465D5M FDA SRS
    15150642 PubChem: Thomson Pharma
    HY-17533 MedChemExpress
    HMDB0250201 Human Metabolome Database
    50488460 BindingDB
    DTXSID4057976 EPA CompTox Dashboard
    J1.295.632K Nikkaji
    38450 ChEBI
    CHEMBL227020 ChEMBL
    C18515 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.