CID 135568408

Methyl 4-((1,2-dihydro-4-hydroxy-2-oxo-3-quinolinyl)carbonyl)benzoate

Structural Information

Molecular Formula
C18H13NO5
SMILES
COC(=O)C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C18H13NO5/c1-24-18(23)11-8-6-10(7-9-11)15(20)14-16(21)12-4-2-3-5-13(12)19-17(14)22/h2-9H,1H3,(H2,19,21,22)
InChIKey
VTPKLSHRVJWYRO-UHFFFAOYSA-N
Compound name
methyl 4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

323.07938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.08666 171.9
[M+Na]+ 346.06860 186.2
[M+NH4]+ 341.11320 177.7
[M+K]+ 362.04254 180.6
[M-H]- 322.07210 173.9
[M+Na-2H]- 344.05405 178.2
[M]+ 323.07883 174.3
[M]- 323.07993 174.3
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