CID 2761136

5-oxo-2,3-dihydro-1h,5h-pyrido[3,2,1-ij]quinoline-6-carboxylic acid

Structural Information

Molecular Formula
C13H11NO3
SMILES
C1CC2=CC=CC3=C2N(C1)C(=O)C(=C3)C(=O)O
InChI
InChI=1S/C13H11NO3/c15-12-10(13(16)17)7-9-4-1-3-8-5-2-6-14(12)11(8)9/h1,3-4,7H,2,5-6H2,(H,16,17)
InChIKey
HMCFZIUMULQCRT-UHFFFAOYSA-N
Compound name
2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

229.0739 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08118 146.8
[M+Na]+ 252.06312 155.5
[M-H]- 228.06662 149.0
[M+NH4]+ 247.10772 165.1
[M+K]+ 268.03706 151.6
[M+H-H2O]+ 212.07116 139.9
[M+HCOO]- 274.07210 163.9
[M+CH3COO]- 288.08775 158.9
[M+Na-2H]- 250.04857 154.0
[M]+ 229.07335 146.7
[M]- 229.07445 146.7
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