CID 262620

Diethyl 4-oxo-4h-quinolizine-1,3-dicarboxylate

Structural Information

Molecular Formula
C15H15NO5
SMILES
CCOC(=O)C1=CC(=C2C=CC=CN2C1=O)C(=O)OCC
InChI
InChI=1S/C15H15NO5/c1-3-20-14(18)10-9-11(15(19)21-4-2)13(17)16-8-6-5-7-12(10)16/h5-9H,3-4H2,1-2H3
InChIKey
CCPCKLDLCGDBJZ-UHFFFAOYSA-N
Compound name
diethyl 4-oxoquinolizine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

289.09503 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10231 161.7
[M+Na]+ 312.08425 170.6
[M-H]- 288.08775 165.3
[M+NH4]+ 307.12885 177.2
[M+K]+ 328.05819 168.6
[M+H-H2O]+ 272.09229 154.1
[M+HCOO]- 334.09323 182.4
[M+CH3COO]- 348.10888 201.4
[M+Na-2H]- 310.06970 165.8
[M]+ 289.09448 167.9
[M]- 289.09558 167.9
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.