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 184.5
[M+Na]+ 362.26002 181.1
[M-H]- 338.26352 189.9
[M+NH4]+ 357.30462 198.0
[M+K]+ 378.23396 178.5
[M+H-H2O]+ 322.26806 174.9
[M+HCOO]- 384.26900 197.4
[M+CH3COO]- 398.28465 221.6
[M+Na-2H]- 360.24547 181.7
[M]+ 339.27025 178.5
[M]- 339.27135 178.5
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.