CID 2834655

Diethyl 1,4,5,6,7,8-hexahydro-5-oxo-7-phenyl-3,4-quinolinedicarboxylate

Structural Information

Molecular Formula
C21H23NO5
SMILES
CCOC(=O)C1C(=CNC2=C1C(=O)CC(C2)C3=CC=CC=C3)C(=O)OCC
InChI
InChI=1S/C21H23NO5/c1-3-26-20(24)15-12-22-16-10-14(13-8-6-5-7-9-13)11-17(23)19(16)18(15)21(25)27-4-2/h5-9,12,14,18,22H,3-4,10-11H2,1-2H3
InChIKey
ZJZZBNOAXKVDHI-UHFFFAOYSA-N
Compound name
diethyl 5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.15762 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16490 187.2
[M+Na]+ 392.14684 198.6
[M+NH4]+ 387.19144 192.6
[M+K]+ 408.12078 192.8
[M-H]- 368.15034 188.9
[M+Na-2H]- 390.13229 190.7
[M]+ 369.15707 189.0
[M]- 369.15817 189.0
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.