CID 203317

Pseudourea, 2-benzyl-1,3-dicyclohexyl-2-thio-, hydrochloride

Structural Information

Molecular Formula
C20H30N2S
SMILES
C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CC=CC=C3
InChI
InChI=1S/C20H30N2S/c1-4-10-17(11-5-1)16-23-20(21-18-12-6-2-7-13-18)22-19-14-8-3-9-15-19/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2,(H,21,22)
InChIKey
AKWYUXGJLWSOTO-UHFFFAOYSA-N
Compound name
benzyl N,N'-dicyclohexylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.21298 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.22026 178.2
[M+Na]+ 353.20220 176.7
[M-H]- 329.20570 185.8
[M+NH4]+ 348.24680 191.3
[M+K]+ 369.17614 171.8
[M+H-H2O]+ 313.21024 168.6
[M+HCOO]- 375.21118 191.1
[M+CH3COO]- 389.22683 185.5
[M+Na-2H]- 351.18765 177.6
[M]+ 330.21243 169.5
[M]- 330.21353 169.5
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

No patent data available for this compound.