CID 168720536

Carboxy-sulfamethoxazole

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₄S

SMILES

CC(=O)C1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C11H11N3O4S/c1-7(15)10-6-11(13-18-10)14-19(16,17)9-4-2-8(12)3-5-9/h2-6H,12H2,1H3,(H,13,14)

InChIKey

IKRDIJZZCVWWKQ-UHFFFAOYSA-N

Compound name

N-(5-acetyl-1,2-oxazol-3-yl)-4-aminobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 281.04703 Da
Monoisotopic Mass: 0.6
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	160.4
[M+Na]+	304.036248	168.9
[M-H]-	280.039754	167.1
[M+NH4]+	299.080853	174.9
[M+K]+	320.010188	166.7
[M+H-H2O]+	264.044290	153.2
[M+HCOO]-	326.045231	179.4
[M+CH3COO]-	340.060881	198.5
[M+Na-2H]-	302.021696	164.0
[M]+	281.04648142	163.2
[M]-	281.04757858	163.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.