Dataset

1,3-Dicyclohexylurea; LC-ESI-QTOF; MS2; 30 V

This MassBank record with Accession MSBNK-BAFG-CSL23111014769 contains the MS2 mass spectrum of 1,3-Dicyclohexylurea with the InChIkey ADFXKUOMJKEIND-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
SMILES C1CCC(CC1)NC(=O)NC2CCCCC2
InChI Key ADFXKUOMJKEIND-UHFFFAOYSA-N
Molecular Formula C13H24N2O
Exact Mass 224.189 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111014769
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 1,3-dicyclohexylurea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-7650056216 Mcule
    ZV7823VVIM FDA SRS
    13797 Brenda
    159706 Brenda
    188244 Brenda
    151353 Brenda
    13672 Brenda
    4277 PubChem
    PD000612 ProbesDrugs
    LSM-3829 LINCS
    15220524 PubChem: Thomson Pharma
    SCHEMBL2755 SureChEMBL
    2387-23-7 ACToR
    DCW PDBe
    537654 eMolecules
    CHEMBL1458 ChEMBL
    23104 Brenda
    CB2314754 ChemicalBook
    93429 ChEBI
    DTXSID3062366 EPA CompTox Dashboard
    ZINC000000157375 ZINC
    25731 BindingDB
    J80.467C Nikkaji
    HMDB0244166 Human Metabolome Database
    CYHXUR CCDC
    The data in this table is sourced from UniChem at EBI.