CID 65280

21312-10-7

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₄S

SMILES

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

InChI

InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)

InChIKey

GXPIUNZCALHVBA-UHFFFAOYSA-N

Compound name

N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 39
References: 45
Patents: 295.06268 Da
Monoisotopic Mass: 0.7
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]+	296.06996	165.2
[M+Na]+	318.05190	174.6
[M+NH4]+	313.09650	170.6
[M+K]+	334.02584	171.3
[M-H]-	294.05540	168.0
[M+Na-2H]-	316.03735	170.2
[M]+	295.06213	167.5
[M]-	295.06323	167.5

Literature stripe

literature stripe

Patent stripe

patents stripe