CID 96827

54179-10-1

Structural Information

Molecular Formula

C₈H₁₂N₂O₄S

SMILES

COC1=CC(=C(C=C1N)OC)S(=O)(=O)N

InChI

InChI=1S/C8H12N2O4S/c1-13-6-4-8(15(10,11)12)7(14-2)3-5(6)9/h3-4H,9H2,1-2H3,(H2,10,11,12)

InChIKey

XUEVFQRBADJXLR-UHFFFAOYSA-N

Compound name

4-amino-2,5-dimethoxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 26
Patents: 232.05177 Da
Monoisotopic Mass: -0.3
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]+	233.05905	148.4
[M+Na]+	255.04099	157.5
[M+NH4]+	250.08559	154.5
[M+K]+	271.01493	152.7
[M-H]-	231.04449	148.9
[M+Na-2H]-	253.02644	152.1
[M]+	232.05122	150.0
[M]-	232.05232	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe