CID 203319

Pseudourea, 1,3-dicyclohexyl-2-methyl-2-thio-, hydroiodide

Structural Information

Molecular Formula
C14H26N2S
SMILES
CSC(=NC1CCCCC1)NC2CCCCC2
InChI
InChI=1S/C14H26N2S/c1-17-14(15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h12-13H,2-11H2,1H3,(H,15,16)
InChIKey
OKZTVLCZWBMMBV-UHFFFAOYSA-N
Compound name
methyl N,N'-dicyclohexylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

254.18167 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18895 160.5
[M+Na]+ 277.17089 160.1
[M-H]- 253.17439 165.8
[M+NH4]+ 272.21549 177.2
[M+K]+ 293.14483 157.3
[M+H-H2O]+ 237.17893 152.5
[M+HCOO]- 299.17987 173.7
[M+CH3COO]- 313.19552 198.3
[M+Na-2H]- 275.15634 160.0
[M]+ 254.18112 152.2
[M]- 254.18222 152.2
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