CID 3054817

71795-32-9

Structural Information

Molecular Formula
C16H20ClN3O2S
SMILES
CC1=CN=C(N1C2CCCCC2)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H20ClN3O2S/c1-12-11-18-16(20(12)14-5-3-2-4-6-14)19-23(21,22)15-9-7-13(17)8-10-15/h7-11,14H,2-6H2,1H3,(H,18,19)
InChIKey
FKKNFUCALIZGRE-UHFFFAOYSA-N
Compound name
4-chloro-N-(1-cyclohexyl-5-methylimidazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.09647 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.10375 181.6
[M+Na]+ 376.08569 189.2
[M-H]- 352.08919 188.8
[M+NH4]+ 371.13029 194.7
[M+K]+ 392.05963 182.9
[M+H-H2O]+ 336.09373 173.5
[M+HCOO]- 398.09467 191.3
[M+CH3COO]- 412.11032 208.8
[M+Na-2H]- 374.07114 181.6
[M]+ 353.09592 182.3
[M]- 353.09702 182.3
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.