CID 78297

4542-32-9

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₄S

SMILES

CC(=O)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C10H12N2O4S/c1-7(13)6-10(14)12-8-2-4-9(5-3-8)17(11,15)16/h2-5H,6H2,1H3,(H,12,14)(H2,11,15,16)

InChIKey

FDZMNCCKUUOJEX-UHFFFAOYSA-N

Compound name

3-oxo-N-(4-sulfamoylphenyl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 34
Patents: 256.0518 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]+	257.059076	153.9
[M+Na]+	279.041018	160.3
[M-H]-	255.044524	157.1
[M+NH4]+	274.085623	169.9
[M+K]+	295.014958	157.6
[M+H-H2O]+	239.049060	147.2
[M+HCOO]-	301.050001	171.9
[M+CH3COO]-	315.065651	195.0
[M+Na-2H]-	277.026466	156.3
[M]+	256.05125142	155.0
[M]-	256.05234858	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe