CID 491985

Bdbm2828

Structural Information

Molecular Formula
C28H35NO8
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/C28H35NO8/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/h12-15,18,23H,8-11H2,1-7H3
InChIKey
JIGZDBPUXHCKLX-UHFFFAOYSA-N
Compound name
methyl 4-[bis(4-methoxy-3-methoxycarbonyl-5-methylphenyl)methyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

513.23627 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.24355 220.4
[M+Na]+ 536.22549 223.7
[M-H]- 512.22899 228.1
[M+NH4]+ 531.27009 224.9
[M+K]+ 552.19943 223.7
[M+H-H2O]+ 496.23353 209.6
[M+HCOO]- 558.23447 233.5
[M+CH3COO]- 572.25012 247.5
[M+Na-2H]- 534.21094 212.7
[M]+ 513.23572 227.3
[M]- 513.23682 227.3
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.