CID 16644738

N,n,2,5-tetramethylbenzenesulfonamide

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C

InChI

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

InChIKey

LLGUBNPYANMOBH-UHFFFAOYSA-N

Compound name

N,N,2,5-tetramethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	143.5
[M+Na]+	236.071568	152.4
[M-H]-	212.075074	149.4
[M+NH4]+	231.116173	163.6
[M+K]+	252.045508	150.7
[M+H-H2O]+	196.079610	137.7
[M+HCOO]-	258.080551	163.0
[M+CH3COO]-	272.096201	191.5
[M+Na-2H]-	234.057016	147.0
[M]+	213.08180142	148.1
[M]-	213.08289858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.