CID 2834655

131929-09-4

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]+ 370.164896 186.9
[M+Na]+ 392.146838 191.6
[M-H]- 368.150344 190.8
[M+NH4]+ 387.191443 197.6
[M+K]+ 408.120778 187.7
[M+H-H2O]+ 352.154880 177.7
[M+HCOO]- 414.155821 200.8
[M+CH3COO]- 428.171471 215.4
[M+Na-2H]- 390.132286 186.2
[M]+ 369.15707142 186.7
[M]- 369.15816858 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.