CID 10467478

N-acetyl zonisamide

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₄S

SMILES

CC(=O)NS(=O)(=O)CC1=NOC2=CC=CC=C21

InChI

InChI=1S/C10H10N2O4S/c1-7(13)12-17(14,15)6-9-8-4-2-3-5-10(8)16-11-9/h2-5H,6H2,1H3,(H,12,13)

InChIKey

HXFUTAFSEXINIW-UHFFFAOYSA-N

Compound name

N-(1,2-benzoxazol-3-ylmethylsulfonyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 254.03613 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]+	255.04341	152.2
[M+Na]+	277.02535	162.6
[M-H]-	253.02885	157.3
[M+NH4]+	272.06995	169.9
[M+K]+	292.99929	160.9
[M+H-H2O]+	237.03339	146.5
[M+HCOO]-	299.03433	171.2
[M+CH3COO]-	313.04998	190.4
[M+Na-2H]-	275.01080	159.1
[M]+	254.03558	158.9
[M]-	254.03668	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe