CID 54684458

Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate

Structural Information

Molecular Formula
C12H11NO4
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C12H11NO4/c1-2-17-12(16)9-10(14)7-5-3-4-6-8(7)13-11(9)15/h3-6H,2H2,1H3,(H2,13,14,15)
InChIKey
LGLPFJDOUVCBNP-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

150
Patents

233.0688 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 147.6
[M+Na]+ 256.05802 157.1
[M-H]- 232.06152 148.8
[M+NH4]+ 251.10262 164.1
[M+K]+ 272.03196 153.4
[M+H-H2O]+ 216.06606 141.1
[M+HCOO]- 278.06700 166.9
[M+CH3COO]- 292.08265 185.9
[M+Na-2H]- 254.04347 153.3
[M]+ 233.06825 149.0
[M]- 233.06935 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe