CID 491978

Bdbm2820

Structural Information

Molecular Formula
C28H33NO8
SMILES
CC1=CC(=CC(=C1OC)C(=O)OC)C(=C2CCN(CC2)C(=O)OC)C3=CC(=C(C(=C3)C)OC)C(=O)OC
InChI
InChI=1S/C28H33NO8/c1-16-12-19(14-21(24(16)33-3)26(30)35-5)23(18-8-10-29(11-9-18)28(32)37-7)20-13-17(2)25(34-4)22(15-20)27(31)36-6/h12-15H,8-11H2,1-7H3
InChIKey
CZFMUFUIGQLEAW-UHFFFAOYSA-N
Compound name
methyl 4-[bis(4-methoxy-3-methoxycarbonyl-5-methylphenyl)methylidene]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

511.2206 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.22788 219.1
[M+Na]+ 534.20982 222.8
[M-H]- 510.21332 226.9
[M+NH4]+ 529.25442 223.7
[M+K]+ 550.18376 222.2
[M+H-H2O]+ 494.21786 208.5
[M+HCOO]- 556.21880 232.5
[M+CH3COO]- 570.23445 246.3
[M+Na-2H]- 532.19527 211.4
[M]+ 511.22005 225.2
[M]- 511.22115 225.2
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.