Dataset

N,N`-Dicyclohexylthiourea; LC-ESI-QFT; MS2; CE: 120%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01109107 contains the MS2 mass spectrum of N,N`-Dicyclohexylthiourea with the InChIkey KAJICSGLHKRDLN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H24N2S/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 S=C(NC1CCCCC1)NC1CCCCC1
InChI Key KAJICSGLHKRDLN-UHFFFAOYSA-N
Molecular Formula C13H24N2S
Exact Mass 240.166 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01109107
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MetadataPublished 2024-06-14
Related Molecule
  • N,N'-dicyclohexylcarbamimidothioic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1606127 ChEMBL
    ZINC000000136162 ZINC
    DTXSID9020451 EPA CompTox Dashboard
    ZIVGUG CCDC
    J60.489E Nikkaji
    727200 PubChem
    854CTM0T34 FDA SRS
    15245972 PubChem: Thomson Pharma
    SCHEMBL491492 SureChEMBL
    1212-29-9 ACToR
    889374 eMolecules
    20201361 NMRShiftDB
    MCULE-5971080540 Mcule
    CB8852931 ChemicalBook
    The data in this table is sourced from UniChem at EBI.