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
4
Annotation Hits

38
References

3501
Patents

332.08307 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09035 174.6
[M+Na]+ 355.07229 180.8
[M-H]- 331.07579 181.4
[M+NH4]+ 350.11689 187.8
[M+K]+ 371.04623 176.8
[M+H-H2O]+ 315.08033 166.6
[M+HCOO]- 377.08127 192.9
[M+CH3COO]- 391.09692 210.1
[M+Na-2H]- 353.05774 177.4
[M]+ 332.08252 176.8
[M]- 332.08362 176.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.