CID 54682171

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

Structural Information

Molecular Formula
C15H17NO4
SMILES
CCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)OCC)O
InChI
InChI=1S/C15H17NO4/c1-3-9-16-11-8-6-5-7-10(11)13(17)12(14(16)18)15(19)20-4-2/h5-8,17H,3-4,9H2,1-2H3
InChIKey
RNDGIBAFDFSHNJ-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-2-oxo-1-propylquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.11575 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12303 160.7
[M+Na]+ 298.10497 170.2
[M-H]- 274.10847 163.1
[M+NH4]+ 293.14957 176.5
[M+K]+ 314.07891 166.8
[M+H-H2O]+ 258.11301 153.5
[M+HCOO]- 320.11395 180.4
[M+CH3COO]- 334.12960 198.6
[M+Na-2H]- 296.09042 164.6
[M]+ 275.11520 165.4
[M]- 275.11630 165.4
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

No patent data available for this compound.