CID 6459432

873588-27-3

Structural Information

Molecular Formula
C18H22N2O2S
SMILES
C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=NC=C3
InChI
InChI=1S/C18H22N2O2S/c21-23(22,20-14-15-10-12-19-13-11-15)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-13,16,20H,1-5,14H2
InChIKey
HRBIOWBGGRSAGZ-UHFFFAOYSA-N
Compound name
4-cyclohexyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

330.1402 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14748 175.7
[M+Na]+ 353.12942 180.0
[M-H]- 329.13292 182.7
[M+NH4]+ 348.17402 187.5
[M+K]+ 369.10336 174.3
[M+H-H2O]+ 313.13746 166.3
[M+HCOO]- 375.13840 189.8
[M+CH3COO]- 389.15405 206.4
[M+Na-2H]- 351.11487 179.4
[M]+ 330.13965 172.6
[M]- 330.14075 172.6
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.