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

2
Patents

229.0739 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.081176 146.8
[M+Na]+ 252.063118 155.5
[M-H]- 228.066624 149.0
[M+NH4]+ 247.107723 165.1
[M+K]+ 268.037058 151.6
[M+H-H2O]+ 212.071160 139.9
[M+HCOO]- 274.072101 163.9
[M+CH3COO]- 288.087751 158.9
[M+Na-2H]- 250.048566 154.0
[M]+ 229.07335142 146.7
[M]- 229.07444858 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