CID 203828

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

Structural Information

Molecular Formula
C16H28N2S
SMILES
C=CCSC(=NC1CCCCC1)NC2CCCCC2
InChI
InChI=1S/C16H28N2S/c1-2-13-19-16(17-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h2,14-15H,1,3-13H2,(H,17,18)
InChIKey
OVRXWGAKPJLAMU-UHFFFAOYSA-N
Compound name
prop-2-enyl N,N'-dicyclohexylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.19733 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.20461 168.2
[M+Na]+ 303.18655 167.2
[M-H]- 279.19005 173.0
[M+NH4]+ 298.23115 183.7
[M+K]+ 319.16049 163.3
[M+H-H2O]+ 263.19459 159.8
[M+HCOO]- 325.19553 180.9
[M+CH3COO]- 339.21118 203.5
[M+Na-2H]- 301.17200 166.7
[M]+ 280.19678 159.9
[M]- 280.19788 159.9
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

patents stripe