CID 5329

Sulfamethoxazole

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₃S

SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)

InChIKey

JLKIGFTWXXRPMT-UHFFFAOYSA-N

Compound name

4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 7678
References: 57101
Patents: 253.05211 Da
Monoisotopic Mass: 0.9
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]+	254.05939	153.2
[M+Na]+	276.04133	162.7
[M-H]-	252.04483	160.0
[M+NH4]+	271.08593	169.3
[M+K]+	292.01527	160.0
[M+H-H2O]+	236.04937	146.3
[M+HCOO]-	298.05031	173.3
[M+CH3COO]-	312.06596	193.1
[M+Na-2H]-	274.02678	158.1
[M]+	253.05156	155.6
[M]-	253.05266	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe