CID 5734

Zonisamide

Structural Information

Molecular Formula

C₈H₈N₂O₃S

SMILES

C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N

InChI

InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)

InChIKey

UBQNRHZMVUUOMG-UHFFFAOYSA-N

Compound name

1,2-benzoxazol-3-ylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1352
References: 23649
Patents: 212.02556 Da
Monoisotopic Mass: 0.2
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]+	213.03284	140.4
[M+Na]+	235.01478	152.0
[M-H]-	211.01828	145.2
[M+NH4]+	230.05938	159.8
[M+K]+	250.98872	149.9
[M+H-H2O]+	195.02282	135.1
[M+HCOO]-	257.02376	160.2
[M+CH3COO]-	271.03941	182.2
[M+Na-2H]-	233.00023	148.1
[M]+	212.02501	145.5
[M]-	212.02611	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe