CID 2809732

Ccg-239412

Structural Information

Molecular Formula
C24H27NO9
SMILES
COC1=CC(=CC(=C1OC)OC)C2CC(=O)N(C(=O)C2)C3=CC(=C(C=C3C(=O)OC)OC)OC
InChI
InChI=1S/C24H27NO9/c1-29-17-11-15(24(28)34-6)16(12-18(17)30-2)25-21(26)9-14(10-22(25)27)13-7-19(31-3)23(33-5)20(8-13)32-4/h7-8,11-12,14H,9-10H2,1-6H3
InChIKey
IIOBSDVOIFUGLM-UHFFFAOYSA-N
Compound name
methyl 2-[2,6-dioxo-4-(3,4,5-trimethoxyphenyl)piperidin-1-yl]-4,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

473.16858 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.17586 206.7
[M+Na]+ 496.15780 213.7
[M-H]- 472.16130 215.5
[M+NH4]+ 491.20240 213.2
[M+K]+ 512.13174 213.6
[M+H-H2O]+ 456.16584 195.7
[M+HCOO]- 518.16678 224.0
[M+CH3COO]- 532.18243 240.3
[M+Na-2H]- 494.14325 202.9
[M]+ 473.16803 216.3
[M]- 473.16913 216.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.