CID 101240

5626-90-4

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₄S

SMILES

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

InChI

InChI=1S/C10H12N2O4S/c1-7(13)11-9-3-5-10(6-4-9)17(15,16)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)

InChIKey

YTJJPFRVBNFIBN-UHFFFAOYSA-N

Compound name

N-[4-(acetylsulfamoyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 16
Patents: 256.0518 Da
Monoisotopic Mass: -1.1
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	153.7
[M+Na]+	279.041018	160.3
[M-H]-	255.044524	157.5
[M+NH4]+	274.085623	170.2
[M+K]+	295.014958	157.9
[M+H-H2O]+	239.049060	147.1
[M+HCOO]-	301.050001	172.4
[M+CH3COO]-	315.065651	194.9
[M+Na-2H]-	277.026466	157.1
[M]+	256.05125142	155.8
[M]-	256.05234858	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe