CID 203321

Pseudourea, 1,3-dicyclohexyl-2-ethyl-2-thio-, hydrobromide

Structural Information

Molecular Formula
C15H28N2S
SMILES
CCSC(=NC1CCCCC1)NC2CCCCC2
InChI
InChI=1S/C15H28N2S/c1-2-18-15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h13-14H,2-12H2,1H3,(H,16,17)
InChIKey
AGYMICWGMSJBHP-UHFFFAOYSA-N
Compound name
ethyl N,N'-dicyclohexylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.19733 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20461 164.7
[M+Na]+ 291.18655 163.8
[M-H]- 267.19005 169.7
[M+NH4]+ 286.23115 180.9
[M+K]+ 307.16049 160.8
[M+H-H2O]+ 251.19459 156.5
[M+HCOO]- 313.19553 177.6
[M+CH3COO]- 327.21118 201.3
[M+Na-2H]- 289.17200 163.8
[M]+ 268.19678 156.8
[M]- 268.19788 156.8
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.