CID 135687072

Methyl 3-benzoyl-4-hydroxy-2-quinolone-5-carboxylate

Structural Information

Molecular Formula
C18H13NO5
SMILES
COC(=O)C1=C2C(=CC=C1)NC(=O)C(=C2O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H13NO5/c1-24-18(23)11-8-5-9-12-13(11)16(21)14(17(22)19-12)15(20)10-6-3-2-4-7-10/h2-9H,1H3,(H2,19,21,22)
InChIKey
ITMGAICGEHVDES-UHFFFAOYSA-N
Compound name
methyl 3-benzoyl-4-hydroxy-2-oxo-1H-quinoline-5-carboxylate
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 171.0
[M+Na]+ 346.06860 179.5
[M-H]- 322.07210 175.3
[M+NH4]+ 341.11320 183.1
[M+K]+ 362.04254 175.0
[M+H-H2O]+ 306.07664 162.6
[M+HCOO]- 368.07758 188.8
[M+CH3COO]- 382.09323 204.0
[M+Na-2H]- 344.05405 174.3
[M]+ 323.07883 172.3
[M]- 323.07993 172.3
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