CID 462433

4-hydroxysulfadiazine

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₃S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CC(=O)N2

InChI

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

InChIKey

VSSDCIJVSFIVLR-UHFFFAOYSA-N

Compound name

4-amino-N-(6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 1
Patents: 266.04736 Da
Monoisotopic Mass: -0.5
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]+	267.05464	155.4
[M+Na]+	289.03658	164.4
[M-H]-	265.04008	158.5
[M+NH4]+	284.08118	167.9
[M+K]+	305.01052	158.6
[M+H-H2O]+	249.04462	147.4
[M+HCOO]-	311.04556	172.7
[M+CH3COO]-	325.06121	193.0
[M+Na-2H]-	287.02203	161.7
[M]+	266.04681	154.2
[M]-	266.04791	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe