CID 135687081

90182-00-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

309.06372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.070996 166.5
[M+Na]+ 332.052938 175.0
[M-H]- 308.056444 169.6
[M+NH4]+ 327.097543 178.4
[M+K]+ 348.026878 169.8
[M+H-H2O]+ 292.060980 158.6
[M+HCOO]- 354.061921 183.1
[M+CH3COO]- 368.077571 199.5
[M+Na-2H]- 330.038386 169.9
[M]+ 309.06317142 165.8
[M]- 309.06426858 165.8
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