CID 2329148

3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid

Structural Information

Molecular Formula
C15H15NO5S
SMILES
CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H15NO5S/c1-10-3-4-11(15(17)18)9-14(10)22(19,20)16-12-5-7-13(21-2)8-6-12/h3-9,16H,1-2H3,(H,17,18)
InChIKey
DZAQEXJIYVGGBH-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

321.0671 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07438 170.8
[M+Na]+ 344.05632 182.1
[M+NH4]+ 339.10092 176.5
[M+K]+ 360.03026 175.9
[M-H]- 320.05982 172.7
[M+Na-2H]- 342.04177 177.1
[M]+ 321.06655 173.2
[M]- 321.06765 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.