CID 95801

N-benzyl-p-toluenesulfonamide

Structural Information

Molecular Formula

C₁₄H₁₅NO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C14H15NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3

InChIKey

WTHKAJZQYNKTCJ-UHFFFAOYSA-N

Compound name

N-benzyl-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 50
References: 467
Patents: 261.08234 Da
Monoisotopic Mass: 2.7
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	157.8
[M+Na]+	284.07156	171.1
[M+NH4]+	279.11616	166.3
[M+K]+	300.04550	161.9
[M-H]-	260.07506	162.3
[M+Na-2H]-	282.05701	167.1
[M]+	261.08179	161.5
[M]-	261.08289	161.5

Literature stripe

literature stripe

Patent stripe

patents stripe