CID 120859

Carbamimidothioic acid, n-cyclohexyl-n'-((4-methylphenyl)sulfonyl)-, methyl ester

Structural Information

Molecular Formula
C15H22N2O2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=NC2CCCCC2)SC
InChI
InChI=1S/C15H22N2O2S2/c1-12-8-10-14(11-9-12)21(18,19)17-15(20-2)16-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,16,17)
InChIKey
FZGKTLXUSMERCC-UHFFFAOYSA-N
Compound name
methyl N'-cyclohexyl-N-(4-methylphenyl)sulfonylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.11227 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11955 171.8
[M+Na]+ 349.10149 180.1
[M+NH4]+ 344.14609 179.5
[M+K]+ 365.07543 170.7
[M-H]- 325.10499 175.8
[M+Na-2H]- 347.08694 177.6
[M]+ 326.11172 174.8
[M]- 326.11282 174.8
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.