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

2
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

patents stripe