Dataset

N,N`-Dicyclohexylthiourea

This MassBank record with Accession MSBNK-LCSB-LU118856 contains the MS2 mass spectrum of N,N`-Dicyclohexylthiourea with the InChIkey KAJICSGLHKRDLN-UHFFFAOYSA-N.

Chemical Info

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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU118856
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T18:28:05.032168
MetadataModified 2025-02-09T14:43:54.551346
MetadataPublished 2020-08-19
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.