CID 66457

4-methyl-n-(2-methylphenyl)benzenesulfonamide

Structural Information

Molecular Formula

C₁₄H₁₅NO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C14H15NO2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-6-4-3-5-12(14)2/h3-10,15H,1-2H3

InChIKey

SIPGNSRRMHEOSA-UHFFFAOYSA-N

Compound name

4-methyl-N-(2-methylphenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 98
Patents: 261.08234 Da
Monoisotopic Mass: 3.1
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]+	262.08962	158.0
[M+Na]+	284.07156	171.6
[M+NH4]+	279.11616	166.5
[M+K]+	300.04550	162.7
[M-H]-	260.07506	162.5
[M+Na-2H]-	282.05701	167.0
[M]+	261.08179	161.8
[M]-	261.08289	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe