CID 18962050

3,4,5-trimethoxybenzene-1-sulfonamide

Structural Information

Molecular Formula

C₉H₁₃NO₅S

SMILES

COC1=CC(=CC(=C1OC)OC)S(=O)(=O)N

InChI

InChI=1S/C9H13NO5S/c1-13-7-4-6(16(10,11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H2,10,11,12)

InChIKey

MJAHNNKQLXJQDX-UHFFFAOYSA-N

Compound name

3,4,5-trimethoxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 247.05144 Da
Monoisotopic Mass: 0.0
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]+	248.05872	152.2
[M+Na]+	270.04066	162.2
[M+NH4]+	265.08526	158.2
[M+K]+	286.01460	157.0
[M-H]-	246.04416	152.1
[M+Na-2H]-	268.02611	155.9
[M]+	247.05089	153.8
[M]-	247.05199	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe