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

4
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

literature stripe

Patent stripe

patents stripe