CID 170454672

4-amino-3-hydroxy-n-pyrimidin-2-ylbenzenesulfonamide

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₃S

SMILES

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

InChI

InChI=1S/C10H10N4O3S/c11-8-3-2-7(6-9(8)15)18(16,17)14-10-12-4-1-5-13-10/h1-6,15H,11H2,(H,12,13,14)

InChIKey

GVCSLIYXIKFTCX-UHFFFAOYSA-N

Compound name

4-amino-3-hydroxy-N-pyrimidin-2-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.04736 Da
Monoisotopic Mass: -0.4
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]+	267.054636	155.4
[M+Na]+	289.036578	164.2
[M-H]-	265.040084	158.5
[M+NH4]+	284.081183	168.0
[M+K]+	305.010518	159.0
[M+H-H2O]+	249.044620	147.3
[M+HCOO]-	311.045561	172.6
[M+CH3COO]-	325.061211	193.7
[M+Na-2H]-	287.022026	161.8
[M]+	266.04681142	154.9
[M]-	266.04790858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.