CID 10355717

5-hydroxysulfamethoxazole

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₄S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)NC2=NOC(=C2)CO

InChI

InChI=1S/C10H11N3O4S/c11-7-1-3-9(4-2-7)18(15,16)13-10-5-8(6-14)17-12-10/h1-5,14H,6,11H2,(H,12,13)

InChIKey

CECJOLRUXWTJHV-UHFFFAOYSA-N

Compound name

4-amino-N-[5-(hydroxymethyl)-1,2-oxazol-3-yl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 269.04703 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]+	270.05431	155.8
[M+Na]+	292.03625	164.5
[M-H]-	268.03975	161.1
[M+NH4]+	287.08085	170.3
[M+K]+	308.01019	161.5
[M+H-H2O]+	252.04429	148.9
[M+HCOO]-	314.04523	174.6
[M+CH3COO]-	328.06088	193.1
[M+Na-2H]-	290.02170	160.7
[M]+	269.04648	157.8
[M]-	269.04758	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe