CID 491984

Bdbm2827

Structural Information

Molecular Formula
C29H37NO8
SMILES
CCOC(=O)N1CCC(CC1)C(C2=CC(=C(C(=C2)C)OC)C(=O)OC)C3=CC(=C(C(=C3)C)OC)C(=O)OC
InChI
InChI=1S/C29H37NO8/c1-8-38-29(33)30-11-9-19(10-12-30)24(20-13-17(2)25(34-4)22(15-20)27(31)36-6)21-14-18(3)26(35-5)23(16-21)28(32)37-7/h13-16,19,24H,8-12H2,1-7H3
InChIKey
NHXAMGUKGGEEDX-UHFFFAOYSA-N
Compound name
ethyl 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

527.2519 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.25918 224.9
[M+Na]+ 550.24112 227.7
[M-H]- 526.24462 232.3
[M+NH4]+ 545.28572 228.8
[M+K]+ 566.21506 227.5
[M+H-H2O]+ 510.24916 213.9
[M+HCOO]- 572.25010 237.6
[M+CH3COO]- 586.26575 250.3
[M+Na-2H]- 548.22657 216.6
[M]+ 527.25135 232.0
[M]- 527.25245 232.0
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.