Dataset

3-Cyclohexyl-1,1-dibenzylurea; LC-ESI-QTOF; MS2; 60 V

This MassBank record with Accession MSBNK-BAFG-CSL23111014810 contains the MS2 mass spectrum of 3-Cyclohexyl-1,1-dibenzylurea with the InChIkey QAVDMLYEKOVQPL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H26N2O/c24-21(22-20-14-8-3-9-15-20)23(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,22,24)
SMILES O=C(NC1CCCCC1)N(Cc2ccccc2)Cc3ccccc3
InChI Key QAVDMLYEKOVQPL-UHFFFAOYSA-N
Molecular Formula C21H26N2O
Exact Mass 322.204 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111014810
Version
Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • 1,1-dibenzyl-3-cyclohexylurea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J1.014.320I Nikkaji
    MCULE-9432866027 Mcule
    ZINC000000396490 ZINC
    1055355 eMolecules
    4168643 PubChem
    The data in this table is sourced from UniChem at EBI.