CID 1301809

N,n'-dicyclohexyl thiooxamide

Structural Information

Molecular Formula
C14H24N2OS
SMILES
C1CCC(CC1)NC(=O)C(=S)NC2CCCCC2
InChI
InChI=1S/C14H24N2OS/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18)
InChIKey
BHHBYQNPCVEMEN-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2-(cyclohexylamino)-2-sulfanylideneacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

268.16095 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16823 163.3
[M+Na]+ 291.15017 162.4
[M-H]- 267.15367 167.2
[M+NH4]+ 286.19477 178.5
[M+K]+ 307.12411 159.1
[M+H-H2O]+ 251.15821 155.7
[M+HCOO]- 313.15915 174.4
[M+CH3COO]- 327.17480 197.9
[M+Na-2H]- 289.13562 161.6
[M]+ 268.16040 153.4
[M]- 268.16150 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe