CID 5028412

2,3,5,6-tetramethylbenzene-1-sulfonamide

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N)C)C

InChI

InChI=1S/C10H15NO2S/c1-6-5-7(2)9(4)10(8(6)3)14(11,12)13/h5H,1-4H3,(H2,11,12,13)

InChIKey

WOTPIPCWLVBYSQ-UHFFFAOYSA-N

Compound name

2,3,5,6-tetramethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 213.08235 Da
Monoisotopic Mass: 1.9
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]+	214.08963	147.7
[M+Na]+	236.07157	159.5
[M+NH4]+	231.11617	155.4
[M+K]+	252.04551	152.5
[M-H]-	212.07507	149.3
[M+Na-2H]-	234.05702	152.3
[M]+	213.08180	150.3
[M]-	213.08290	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe