CID 3363239

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

Structural Information

Molecular Formula
C31H35NO8
SMILES
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2)C)C(=O)OCC)C3=C(C=CC(=C3)OC)OC)C4=CC=CC=C4OC
InChI
InChI=1S/C31H35NO8/c1-7-39-30(34)25-17(3)32-22-16-20(19-11-9-10-12-23(19)37-5)27(31(35)40-8-2)29(33)28(22)26(25)21-15-18(36-4)13-14-24(21)38-6/h9-15,20,26-27,32H,7-8,16H2,1-6H3
InChIKey
VDBWIGYRHFRMBE-UHFFFAOYSA-N
Compound name
diethyl 4-(2,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.23627 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.243546 233.3
[M+Na]+ 572.225488 237.5
[M-H]- 548.228994 240.4
[M+NH4]+ 567.270093 236.4
[M+K]+ 588.199428 235.0
[M+H-H2O]+ 532.233530 221.3
[M+HCOO]- 594.234471 244.7
[M+CH3COO]- 608.250121 254.4
[M+Na-2H]- 570.210936 227.1
[M]+ 549.23572142 239.6
[M]- 549.23681858 239.6
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.