CID 2908148

Diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

Structural Information

Molecular Formula
C29H31NO6
SMILES
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2)C)C(=O)OCC)C3=CC=CC=C3)C4=CC(=CC=C4)OC
InChI
InChI=1S/C29H31NO6/c1-5-35-28(32)23-17(3)30-22-16-21(19-13-10-14-20(15-19)34-4)25(29(33)36-6-2)27(31)26(22)24(23)18-11-8-7-9-12-18/h7-15,21,24-25,30H,5-6,16H2,1-4H3
InChIKey
MDNDEDVMBYDYLX-UHFFFAOYSA-N
Compound name
diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.21515 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.22243 220.1
[M+Na]+ 512.20437 224.3
[M-H]- 488.20787 227.0
[M+NH4]+ 507.24897 225.6
[M+K]+ 528.17831 220.0
[M+H-H2O]+ 472.21241 208.5
[M+HCOO]- 534.21335 232.2
[M+CH3COO]- 548.22900 241.4
[M+Na-2H]- 510.18982 215.6
[M]+ 489.21460 222.2
[M]- 489.21570 222.2
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.