CID 2357265

2-amino-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C14H14N2O5S
SMILES
COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N)C(=O)O
InChI
InChI=1S/C14H14N2O5S/c1-21-10-4-2-9(3-5-10)16-22(19,20)11-6-7-13(15)12(8-11)14(17)18/h2-8,16H,15H2,1H3,(H,17,18)
InChIKey
KDCLEXOJWZLARV-UHFFFAOYSA-N
Compound name
2-amino-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

322.06235 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06963 169.4
[M+Na]+ 345.05157 176.4
[M-H]- 321.05507 174.7
[M+NH4]+ 340.09617 182.1
[M+K]+ 361.02551 172.4
[M+H-H2O]+ 305.05961 161.7
[M+HCOO]- 367.06055 187.2
[M+CH3COO]- 381.07620 206.2
[M+Na-2H]- 343.03702 172.4
[M]+ 322.06180 171.3
[M]- 322.06290 171.3
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.