CID 3023520

N-(3-acetyl-4-hydroxyphenyl)benzenesulphonamide

Structural Information

Molecular Formula
C14H13NO4S
SMILES
CC(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C14H13NO4S/c1-10(16)13-9-11(7-8-14(13)17)15-20(18,19)12-5-3-2-4-6-12/h2-9,15,17H,1H3
InChIKey
RHTBRALULSRRQX-UHFFFAOYSA-N
Compound name
N-(3-acetyl-4-hydroxyphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

291.05652 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.063796 162.7
[M+Na]+ 314.045738 170.2
[M-H]- 290.049244 168.5
[M+NH4]+ 309.090343 177.3
[M+K]+ 330.019678 165.8
[M+H-H2O]+ 274.053780 155.6
[M+HCOO]- 336.054721 180.1
[M+CH3COO]- 350.070371 197.8
[M+Na-2H]- 312.031186 166.5
[M]+ 291.05597142 164.6
[M]- 291.05706858 164.6
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

patents stripe