CID 731535

2',6'-diethyl-p-toluenesulfonanilide

Structural Information

Molecular Formula

C₁₇H₂₁NO₂S

SMILES

CCC1=C(C(=CC=C1)CC)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H21NO2S/c1-4-14-7-6-8-15(5-2)17(14)18-21(19,20)16-11-9-13(3)10-12-16/h6-12,18H,4-5H2,1-3H3

InChIKey

CAXHZJKUHBMSPS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 7
Patents: 303.1293 Da
Monoisotopic Mass: 4.4
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]+	304.13658	171.4
[M+Na]+	326.11852	184.8
[M+NH4]+	321.16312	179.4
[M+K]+	342.09246	175.3
[M-H]-	302.12202	175.9
[M+Na-2H]-	324.10397	179.5
[M]+	303.12875	175.2
[M]-	303.12985	175.2

Literature stripe

literature stripe

Patent stripe

patents stripe