CID 170455353

4-amino-2,3-dihydroxy-n-pyridin-2-ylbenzenesulfonamide

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₄S

SMILES

C1=CC=NC(=C1)NS(=O)(=O)C2=C(C(=C(C=C2)N)O)O

InChI

InChI=1S/C11H11N3O4S/c12-7-4-5-8(11(16)10(7)15)19(17,18)14-9-3-1-2-6-13-9/h1-6,15-16H,12H2,(H,13,14)

InChIKey

OGGTYHCBAFLAAR-UHFFFAOYSA-N

Compound name

4-amino-2,3-dihydroxy-N-pyridin-2-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.04703 Da
Monoisotopic Mass: -0.2
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]+	282.054306	158.5
[M+Na]+	304.036248	166.8
[M-H]-	280.039754	161.6
[M+NH4]+	299.080853	171.2
[M+K]+	320.010188	161.6
[M+H-H2O]+	264.044290	151.1
[M+HCOO]-	326.045231	175.2
[M+CH3COO]-	340.060881	195.3
[M+Na-2H]-	302.021696	163.5
[M]+	281.04648142	157.9
[M]-	281.04757858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.