CID 6477

Acedapsone

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₄S

SMILES

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

InChI

InChI=1S/C16H16N2O4S/c1-11(19)17-13-3-7-15(8-4-13)23(21,22)16-9-5-14(6-10-16)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)

InChIKey

AMTPYFGPPVFBBI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 38
References: 3117
Patents: 332.08307 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]+	333.09035	174.5
[M+Na]+	355.07229	184.6
[M+NH4]+	350.11689	180.1
[M+K]+	371.04623	178.3
[M-H]-	331.07579	177.1
[M+Na-2H]-	353.05774	181.1
[M]+	332.08252	176.9
[M]-	332.08362	176.9

Literature stripe

literature stripe

Patent stripe

patents stripe