CID 165945342

4-hydroxy-7,8-dimethoxyquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C12H11NO5
SMILES
COC1=C(C2=C(C=C1)C(=O)C(=CN2)C(=O)O)OC
InChI
InChI=1S/C12H11NO5/c1-17-8-4-3-6-9(11(8)18-2)13-5-7(10(6)14)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKey
ICLZRXYHJMQSJF-UHFFFAOYSA-N
Compound name
7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.06372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07100 149.8
[M+Na]+ 272.05294 159.9
[M-H]- 248.05644 151.3
[M+NH4]+ 267.09754 165.8
[M+K]+ 288.02688 157.0
[M+H-H2O]+ 232.06098 143.2
[M+HCOO]- 294.06192 169.2
[M+CH3COO]- 308.07757 190.2
[M+Na-2H]- 270.03839 154.9
[M]+ 249.06317 153.1
[M]- 249.06427 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

No patent data available for this compound.