CID 268979

4-hydroxy-5,8-dimethoxyquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C12H11NO5
SMILES
COC1=C2C(=C(C=C1)OC)NC=C(C2=O)C(=O)O
InChI
InChI=1S/C12H11NO5/c1-17-7-3-4-8(18-2)10-9(7)11(14)6(5-13-10)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKey
UMRUDNVGDOZXDW-UHFFFAOYSA-N
Compound name
5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

249.06372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.070996 149.8
[M+Na]+ 272.052938 159.9
[M-H]- 248.056444 151.3
[M+NH4]+ 267.097543 165.8
[M+K]+ 288.026878 157.0
[M+H-H2O]+ 232.060980 143.2
[M+HCOO]- 294.061921 169.2
[M+CH3COO]- 308.077571 190.2
[M+Na-2H]- 270.038386 154.9
[M]+ 249.06317142 153.1
[M]- 249.06426858 153.1
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