CID 203296

Pseudourea, 1,3-dicyclohexyl-2-(2-(n,n-diethylamino)ethyl)-2-thio-, dihydrochloride

Structural Information

Molecular Formula
C19H37N3S
SMILES
CCN(CC)CCSC(=NC1CCCCC1)NC2CCCCC2
InChI
InChI=1S/C19H37N3S/c1-3-22(4-2)15-16-23-19(20-17-11-7-5-8-12-17)21-18-13-9-6-10-14-18/h17-18H,3-16H2,1-2H3,(H,20,21)
InChIKey
IGMPWGAMYSCBCA-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.2708 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.27808 185.0
[M+Na]+ 362.26002 190.2
[M+NH4]+ 357.30462 193.3
[M+K]+ 378.23396 180.9
[M-H]- 338.26352 190.7
[M+Na-2H]- 360.24547 189.2
[M]+ 339.27025 187.4
[M]- 339.27135 187.4
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

No patent data available for this compound.