CID 2345617

6-(diethylsulfamoyl)-2-hydroxyquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C14H16N2O5S
SMILES
CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2C(=O)O
InChI
InChI=1S/C14H16N2O5S/c1-3-16(4-2)22(20,21)9-5-6-12-10(7-9)11(14(18)19)8-13(17)15-12/h5-8H,3-4H2,1-2H3,(H,15,17)(H,18,19)
InChIKey
ZLCXXWQTSCMBKW-UHFFFAOYSA-N
Compound name
6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

324.078 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.08528 169.1
[M+Na]+ 347.06722 176.9
[M-H]- 323.07072 171.2
[M+NH4]+ 342.11182 182.3
[M+K]+ 363.04116 173.3
[M+H-H2O]+ 307.07526 162.4
[M+HCOO]- 369.07620 182.8
[M+CH3COO]- 383.09185 206.0
[M+Na-2H]- 345.05267 172.7
[M]+ 324.07745 173.5
[M]- 324.07855 173.5
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.