CID 2396440

2-hydroxy-6-[(3-methylphenyl)sulfamoyl]quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C17H14N2O5S
SMILES
CC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)O
InChI
InChI=1S/C17H14N2O5S/c1-10-3-2-4-11(7-10)19-25(23,24)12-5-6-15-13(8-12)14(17(21)22)9-16(20)18-15/h2-9,19H,1H3,(H,18,20)(H,21,22)
InChIKey
FYMMPGWOEJBHLK-UHFFFAOYSA-N
Compound name
6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

358.06235 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06963 178.2
[M+Na]+ 381.05157 186.8
[M-H]- 357.05507 182.4
[M+NH4]+ 376.09617 189.1
[M+K]+ 397.02551 180.9
[M+H-H2O]+ 341.05961 170.6
[M+HCOO]- 403.06055 191.9
[M+CH3COO]- 417.07620 209.5
[M+Na-2H]- 379.03702 183.0
[M]+ 358.06180 180.3
[M]- 358.06290 180.3
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.