Dataset

Imidocarb; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU117004 contains the MS2 mass spectrum of Imidocarb with the InChIkey SCEVFJUWLLRELN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H20N6O/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26)
SMILES c1cc(cc(c1)NC(=O)Nc2cccc(c2)C3=NCCN3)C4=NCCN4
InChI Key SCEVFJUWLLRELN-UHFFFAOYSA-N
Molecular Formula C19H20N6O
Exact Mass 348.170 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU117004
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MetadataPublished 2016-02-21
Related Molecule
  • 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-7574200941 Mcule
    SCHEMBL203921 SureChEMBL
    21389 PubChem
    PD013984 ProbesDrugs
    15076111 PubChem: Thomson Pharma
    27885-92-3 ACToR
    8USS3K0VDH FDA SRS
    731910 eMolecules
    HMDB0253427 Human Metabolome Database
    J20.350E Nikkaji
    ZINC000000073661 ZINC
    DTXSID0048345 EPA CompTox Dashboard
    IMIZOL rxnorm
    IMIDOCARB rxnorm
    79241 BindingDB
    DB11521 DrugBank
    CHEMBL427342 ChEMBL
    51804 ChEBI
    The data in this table is sourced from UniChem at EBI.