CID 248880

4'-sulfamoylphthalanilic acid

Structural Information

Molecular Formula
C14H12N2O5S
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C14H12N2O5S/c15-22(20,21)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(18)19/h1-8H,(H,16,17)(H,18,19)(H2,15,20,21)
InChIKey
IYDVPRRWOHHTSF-UHFFFAOYSA-N
Compound name
2-[(4-sulfamoylphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

320.0467 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05398 168.8
[M+Na]+ 343.03592 175.0
[M-H]- 319.03942 173.9
[M+NH4]+ 338.08052 181.2
[M+K]+ 359.00986 171.0
[M+H-H2O]+ 303.04396 161.2
[M+HCOO]- 365.04490 185.8
[M+CH3COO]- 379.06055 204.4
[M+Na-2H]- 341.02137 171.5
[M]+ 320.04615 168.9
[M]- 320.04725 168.9
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