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 170.9
[M+Na]+ 343.07229 178.6
[M-H]- 319.07579 176.5
[M+NH4]+ 338.11689 184.2
[M+K]+ 359.04623 173.8
[M+H-H2O]+ 303.08033 163.5
[M+HCOO]- 365.08127 188.1
[M+CH3COO]- 379.09692 208.2
[M+Na-2H]- 341.05774 172.5
[M]+ 320.08252 172.2
[M]- 320.08362 172.2
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