CID 68234

2-(3-carboxy-4-hydroxyphenyl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C17H11NO5
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O
InChI
InChI=1S/C17H11NO5/c19-15-6-5-9(7-12(15)17(22)23)14-8-11(16(20)21)10-3-1-2-4-13(10)18-14/h1-8,19H,(H,20,21)(H,22,23)
InChIKey
KIWASCBIBBHEML-UHFFFAOYSA-N
Compound name
2-(3-carboxy-4-hydroxyphenyl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

13
Patents

309.06372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.07100 167.2
[M+Na]+ 332.05294 175.4
[M-H]- 308.05644 170.3
[M+NH4]+ 327.09754 179.2
[M+K]+ 348.02688 170.9
[M+H-H2O]+ 292.06098 159.2
[M+HCOO]- 354.06192 183.6
[M+CH3COO]- 368.07757 200.1
[M+Na-2H]- 330.03839 170.6
[M]+ 309.06317 167.2
[M]- 309.06427 167.2
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.