CID 895546

4921-92-0

Structural Information

Molecular Formula
C14H18N2OS
SMILES
C1CCC(CC1)NC(=S)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H18N2OS/c17-13(11-7-3-1-4-8-11)16-14(18)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,15,16,17,18)
InChIKey
PSZJBKYIONLMPZ-UHFFFAOYSA-N
Compound name
N-(cyclohexylcarbamothioyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

32
Patents

262.11398 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12126 159.6
[M+Na]+ 285.10320 161.8
[M-H]- 261.10670 164.8
[M+NH4]+ 280.14780 175.4
[M+K]+ 301.07714 157.8
[M+H-H2O]+ 245.11124 151.9
[M+HCOO]- 307.11218 175.1
[M+CH3COO]- 321.12783 196.7
[M+Na-2H]- 283.08865 160.7
[M]+ 262.11343 153.9
[M]- 262.11453 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe