CID 735359

4-hydroxy-6,8-dimethoxyquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C12H11NO5
SMILES
COC1=CC2=C(C(=C1)OC)NC=C(C2=O)C(=O)O
InChI
InChI=1S/C12H11NO5/c1-17-6-3-7-10(9(4-6)18-2)13-5-8(11(7)14)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKey
UAUGYIAYNNSEBS-UHFFFAOYSA-N
Compound name
6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
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

literature stripe

Patent stripe

patents stripe