CID 2426171

3-[(4-methoxyphenyl)(methyl)sulfamoyl]benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

321.0671 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07438 169.7
[M+Na]+ 344.05632 176.6
[M-H]- 320.05982 176.8
[M+NH4]+ 339.10092 183.6
[M+K]+ 360.03026 174.2
[M+H-H2O]+ 304.06436 162.0
[M+HCOO]- 366.06530 187.5
[M+CH3COO]- 380.08095 206.2
[M+Na-2H]- 342.04177 172.7
[M]+ 321.06655 174.6
[M]- 321.06765 174.6
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