CID 74833

2015-14-7

Structural Information

Molecular Formula

C₉H₁₂N₂O₃S

SMILES

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C9H12N2O3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14)

InChIKey

AHQONKCJXWTTOW-UHFFFAOYSA-N

Compound name

N-[(4-sulfamoylphenyl)methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 56
Patents: 228.05687 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]+	229.064146	147.4
[M+Na]+	251.046088	154.6
[M-H]-	227.049594	150.7
[M+NH4]+	246.090693	164.9
[M+K]+	267.020028	151.5
[M+H-H2O]+	211.054130	141.0
[M+HCOO]-	273.055071	166.4
[M+CH3COO]-	287.070721	189.7
[M+Na-2H]-	249.031536	151.1
[M]+	228.05632142	148.0
[M]-	228.05741858	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe