CID 135687082

3-benzoyl-1,2-dihydro-4-hydroxy-2-oxo-8-quinolinecarboxylic acid

Structural Information

Molecular Formula
C17H11NO5
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C3=C(C(=CC=C3)C(=O)O)NC2=O)O
InChI
InChI=1S/C17H11NO5/c19-14(9-5-2-1-3-6-9)12-15(20)10-7-4-8-11(17(22)23)13(10)18-16(12)21/h1-8H,(H,22,23)(H2,18,20,21)
InChIKey
KMPAJGCBVAJBSR-UHFFFAOYSA-N
Compound name
3-benzoyl-4-hydroxy-2-oxo-1H-quinoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

309.06372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.07100 167.8
[M+Na]+ 332.05294 181.7
[M+NH4]+ 327.09754 173.4
[M+K]+ 348.02688 176.8
[M-H]- 308.05644 169.3
[M+Na-2H]- 330.03839 173.8
[M]+ 309.06317 170.0
[M]- 309.06427 170.0
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