CID 70403

Chlorcyclohexamide

Structural Information

Molecular Formula
C13H17ClN2O3S
SMILES
C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H17ClN2O3S/c14-10-6-8-12(9-7-10)20(18,19)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)
InChIKey
TYZHJGCYLYXPSB-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonyl-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

14
Patents

316.06485 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.072126 168.0
[M+Na]+ 339.054068 172.7
[M-H]- 315.057574 173.8
[M+NH4]+ 334.098673 182.7
[M+K]+ 355.028008 167.7
[M+H-H2O]+ 299.062110 161.7
[M+HCOO]- 361.063051 179.4
[M+CH3COO]- 375.078701 202.4
[M+Na-2H]- 337.039516 170.8
[M]+ 316.06430142 166.8
[M]- 316.06539858 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe