CID 2338315

2-hydroxy-6-(morpholine-4-sulfonyl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C14H14N2O6S
SMILES
C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)O
InChI
InChI=1S/C14H14N2O6S/c17-13-8-11(14(18)19)10-7-9(1-2-12(10)15-13)23(20,21)16-3-5-22-6-4-16/h1-2,7-8H,3-6H2,(H,15,17)(H,18,19)
InChIKey
AIMAFULXVHRDRV-UHFFFAOYSA-N
Compound name
6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

338.05725 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.06453 171.1
[M+Na]+ 361.04647 178.1
[M-H]- 337.04997 173.8
[M+NH4]+ 356.09107 180.0
[M+K]+ 377.02041 174.8
[M+H-H2O]+ 321.05451 163.5
[M+HCOO]- 383.05545 178.8
[M+CH3COO]- 397.07110 200.6
[M+Na-2H]- 359.03192 175.4
[M]+ 338.05670 170.8
[M]- 338.05780 170.8
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.