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 186.9
[M+Na]+ 392.14684 191.6
[M-H]- 368.15034 190.8
[M+NH4]+ 387.19144 197.6
[M+K]+ 408.12078 187.7
[M+H-H2O]+ 352.15488 177.7
[M+HCOO]- 414.15582 200.8
[M+CH3COO]- 428.17147 215.4
[M+Na-2H]- 390.13229 186.2
[M]+ 369.15707 186.7
[M]- 369.15817 186.7
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.