Dataset

N,N`-dimethyl-N,N`-diphenylurea; APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA003303 contains the MS2 mass spectrum of N,N-dimethyl-N,N-diphenylurea with the InChIkey ADCBKYIHQQCFHE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H16N2O/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3
SMILES O=C(N(c1ccccc1)C)N(c2ccccc2)C
InChI Key ADCBKYIHQQCFHE-UHFFFAOYSA-N
Molecular Formula C15H16N2O
Exact Mass 240.126 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-UFZ-UA003303
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MetadataPublished 2014-06-24
Related Molecule
  • 1,3-dimethyl-1,3-diphenylurea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J13.679D Nikkaji
    CEJDUT CCDC
    11917 PubChem
    MCULE-5264210998 Mcule
    611-92-7 ACToR
    SCHEMBL320116 SureChEMBL
    502310 eMolecules
    EN824LB0NY FDA SRS
    CB9218833 ChemicalBook
    CHEMBL3827384 ChEMBL
    ZINC000000389811 ZINC
    DTXSID3044964 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.