CID 3076563

Brn 4756692

Structural Information

Molecular Formula
C15H19NO5
SMILES
CCOC(=O)C1C(=CNC2=C1C(=O)CCC2)C(=O)OCC
InChI
InChI=1S/C15H19NO5/c1-3-20-14(18)9-8-16-10-6-5-7-11(17)13(10)12(9)15(19)21-4-2/h8,12,16H,3-7H2,1-2H3
InChIKey
LJWHKVWUCQIKFH-UHFFFAOYSA-N
Compound name
diethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1263 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13358 166.6
[M+Na]+ 316.11552 175.9
[M+NH4]+ 311.16012 171.8
[M+K]+ 332.08946 171.7
[M-H]- 292.11902 165.4
[M+Na-2H]- 314.10097 167.6
[M]+ 293.12575 167.1
[M]- 293.12685 167.1
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

No patent data available for this compound.