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 165.5
[M+Na]+ 316.11552 171.0
[M-H]- 292.11902 166.5
[M+NH4]+ 311.16012 179.8
[M+K]+ 332.08946 168.7
[M+H-H2O]+ 276.12356 158.5
[M+HCOO]- 338.12450 180.3
[M+CH3COO]- 352.14015 200.1
[M+Na-2H]- 314.10097 166.3
[M]+ 293.12575 165.6
[M]- 293.12685 165.6
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.