CID 69539

649-15-0

Structural Information

Molecular Formula

C₁₁H₁₇NO₂S

SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C11H17NO2S/c1-4-12(5-2)15(13,14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3

InChIKey

AOJBACHWNDMRQP-UHFFFAOYSA-N

Compound name

N,N-diethyl-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 353
Patents: 227.098 Da
Monoisotopic Mass: 2.2
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]+	228.105276	149.0
[M+Na]+	250.087218	156.6
[M-H]-	226.090724	154.3
[M+NH4]+	245.131823	168.3
[M+K]+	266.061158	154.7
[M+H-H2O]+	210.095260	142.7
[M+HCOO]-	272.096201	168.3
[M+CH3COO]-	286.111851	193.3
[M+Na-2H]-	248.072666	152.6
[M]+	227.09745142	153.6
[M]-	227.09854858	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe