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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	331.147476	175.7
[M+Na]+	353.129418	180.0
[M-H]-	329.132924	182.7
[M+NH4]+	348.174023	187.5
[M+K]+	369.103358	174.3
[M+H-H2O]+	313.137460	166.3
[M+HCOO]-	375.138401	189.8
[M+CH3COO]-	389.154051	206.4
[M+Na-2H]-	351.114866	179.4
[M]+	330.13965142	172.6
[M]-	330.14074858	172.6

Literature stripe

literature stripe

Patent stripe

patents stripe