CID 10444974

Isosulfamethoxazole

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₃S

SMILES

CC1=NOC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

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

InChIKey

KBLGZYOVYFTAOB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
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]+	254.059386	153.2
[M+Na]+	276.041328	162.7
[M-H]-	252.044834	160.0
[M+NH4]+	271.085933	169.3
[M+K]+	292.015268	160.0
[M+H-H2O]+	236.049370	146.3
[M+HCOO]-	298.050311	173.3
[M+CH3COO]-	312.065961	193.1
[M+Na-2H]-	274.026776	158.1
[M]+	253.05156142	155.6
[M]-	253.05265858	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe