CID 5742711

8-hydroxy-2-[(1z)-1-hydroxy-3-oxo-3-phenylprop-1-en-1-yl]quinoline-7-carboxylic acid

Structural Information

Molecular Formula
C19H13NO5
SMILES
C1=CC=C(C=C1)/C(=C/C(=O)C2=NC3=C(C=CC(=C3O)C(=O)O)C=C2)/O
InChI
InChI=1S/C19H13NO5/c21-15(11-4-2-1-3-5-11)10-16(22)14-9-7-12-6-8-13(19(24)25)18(23)17(12)20-14/h1-10,21,23H,(H,24,25)/b15-10-
InChIKey
JJXBOVFTGRZPSQ-GDNBJRDFSA-N
Compound name
8-hydroxy-2-[(Z)-3-hydroxy-3-phenylprop-2-enoyl]quinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.07938 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.08666 174.9
[M+Na]+ 358.06860 181.3
[M-H]- 334.07210 177.4
[M+NH4]+ 353.11320 185.3
[M+K]+ 374.04254 176.3
[M+H-H2O]+ 318.07664 166.6
[M+HCOO]- 380.07758 189.9
[M+CH3COO]- 394.09323 204.4
[M+Na-2H]- 356.05405 176.9
[M]+ 335.07883 173.7
[M]- 335.07993 173.7
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.