CID 74367

N,n-diethylbenzenesulfonamide

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

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

InChI

InChI=1S/C10H15NO2S/c1-3-11(4-2)14(12,13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

InChIKey

FZIFUJULXRFHBB-UHFFFAOYSA-N

Compound name

N,N-diethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 404
Patents: 213.08235 Da
Monoisotopic Mass: 1.8
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]+	214.089626	145.3
[M+Na]+	236.071568	152.5
[M-H]-	212.075074	150.4
[M+NH4]+	231.116173	164.8
[M+K]+	252.045508	150.7
[M+H-H2O]+	196.079610	138.9
[M+HCOO]-	258.080551	164.9
[M+CH3COO]-	272.096201	189.2
[M+Na-2H]-	234.057016	150.0
[M]+	213.08180142	149.1
[M]-	213.08289858	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe