CID 262999

N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide

Structural Information

Molecular Formula

C₁₅H₁₇NO₂S

SMILES

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

InChI

InChI=1S/C15H17NO2S/c1-11-7-9-14(10-8-11)19(17,18)16-15-12(2)5-4-6-13(15)3/h4-10,16H,1-3H3

InChIKey

SEYRJIDJWCOIBS-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 48
Patents: 275.098 Da
Monoisotopic Mass: 3.5
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]+	276.10528	162.7
[M+Na]+	298.08722	176.4
[M+NH4]+	293.13182	171.0
[M+K]+	314.06116	167.4
[M-H]-	274.09072	167.2
[M+Na-2H]-	296.07267	171.2
[M]+	275.09745	166.5
[M]-	275.09855	166.5

Literature stripe

literature stripe

Patent stripe

patents stripe