Dataset

1,3-Diphenylguanidine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU248705 contains the MS2 mass spectrum of 1,3-Diphenylguanidine with the InChIkey OWRCNXZUPFZXOS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)
SMILES N=C(NC1=CC=CC=C1)NC1=CC=CC=C1
InChI Key OWRCNXZUPFZXOS-UHFFFAOYSA-N
Molecular Formula C13H13N3
Exact Mass 211.111 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-AU248705
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MetadataPublished 2019-04-08
Related Molecule
  • 1,2-diphenylguanidine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB14191 drugbank
    CHEBI:144319 chebi
    CHEMBL77675 chembl
    35172 surechembl
    78658 surechembl
    809224 surechembl
    7594 pubchem
    6MRZ85RNHQ fdasrs
    PD013610 probes_and_drugs
    DPGUAN CCDC
    Molport-000-656-262 molport
    Molport-047-786-032 molport
    50010769 bindingdb
    The data in this table is sourced from UniChem at EBI.