CID 11257

Monoacetyldapsone

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₃S

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C14H14N2O3S/c1-10(17)16-12-4-8-14(9-5-12)20(18,19)13-6-2-11(15)3-7-13/h2-9H,15H2,1H3,(H,16,17)

InChIKey

WDOCBIHNYYQINH-UHFFFAOYSA-N

Compound name

N-[4-(4-aminophenyl)sulfonylphenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 92
References: 47
Patents: 290.0725 Da
Monoisotopic Mass: 0.9
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]+	291.07978	163.9
[M+Na]+	313.06172	171.2
[M-H]-	289.06522	170.5
[M+NH4]+	308.10632	178.8
[M+K]+	329.03566	166.7
[M+H-H2O]+	273.06976	156.3
[M+HCOO]-	335.07070	182.9
[M+CH3COO]-	349.08635	201.9
[M+Na-2H]-	311.04717	167.4
[M]+	290.07195	164.3
[M]-	290.07305	164.3

Literature stripe

literature stripe

Patent stripe

patents stripe