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]+ 321.090346 170.9
[M+Na]+ 343.072288 178.6
[M-H]- 319.075794 176.5
[M+NH4]+ 338.116893 184.2
[M+K]+ 359.046228 173.8
[M+H-H2O]+ 303.080330 163.5
[M+HCOO]- 365.081271 188.1
[M+CH3COO]- 379.096921 208.2
[M+Na-2H]- 341.057736 172.5
[M]+ 320.08252142 172.2
[M]- 320.08361858 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