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
4
Annotation Hits

92
References

111
Patents

290.0725 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.