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
    CHEMBL77675 ChEMBL
    DTXSID3025178 EPA CompTox Dashboard
    50010769 BindingDB
    DPGUAN CCDC
    J3.599H Nikkaji
    DIPHENYLGUANIDINE rxnorm
    144319 ChEBI
    CB5671991 ChemicalBook
    DB14191 DrugBank
    ZINC000018208503 ZINC
    SCHEMBL35172 SureChEMBL
    MCULE-4310964857 Mcule
    7594 PubChem
    PD013610 ProbesDrugs
    14818818 PubChem: Thomson Pharma
    102-06-7 ACToR
    15960214 PubChem: Thomson Pharma
    6MRZ85RNHQ FDA SRS
    507421 eMolecules
    The data in this table is sourced from UniChem at EBI.