CID 203294

Pseudourea, 2-benzyl-1-cyclohexyl-3-isopropyl-2-thio-, hydrochloride

Structural Information

Molecular Formula
C17H26N2S
SMILES
CC(C)NC(=NC1CCCCC1)SCC2=CC=CC=C2
InChI
InChI=1S/C17H26N2S/c1-14(2)18-17(19-16-11-7-4-8-12-16)20-13-15-9-5-3-6-10-15/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3,(H,18,19)
InChIKey
HFYXPXCXHHONIE-UHFFFAOYSA-N
Compound name
benzyl N'-cyclohexyl-N-propan-2-ylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.18167 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18895 170.2
[M+Na]+ 313.17089 171.3
[M-H]- 289.17439 176.1
[M+NH4]+ 308.21549 185.6
[M+K]+ 329.14483 167.5
[M+H-H2O]+ 273.17893 161.6
[M+HCOO]- 335.17987 185.7
[M+CH3COO]- 349.19552 206.9
[M+Na-2H]- 311.15634 170.0
[M]+ 290.18112 166.5
[M]- 290.18222 166.5
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

No patent data available for this compound.