CID 82540

10311-45-2

Structural Information

Molecular Formula
C15H16N2O4S
SMILES
CC1=C(C(=C(C=C1)S(=O)(=O)N)C)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H16N2O4S/c1-9-7-8-13(22(16,20)21)10(2)14(9)17-12-6-4-3-5-11(12)15(18)19/h3-8,17H,1-2H3,(H,18,19)(H2,16,20,21)
InChIKey
GCYVPIQWKMVIFJ-UHFFFAOYSA-N
Compound name
2-(2,6-dimethyl-3-sulfamoylanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

320.08307 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09035 172.0
[M+Na]+ 343.07229 182.5
[M+NH4]+ 338.11689 177.7
[M+K]+ 359.04623 176.6
[M-H]- 319.07579 174.6
[M+Na-2H]- 341.05774 177.7
[M]+ 320.08252 174.5
[M]- 320.08362 174.5
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