CID 44151347

102339-08-2

Structural Information

Molecular Formula
C34H40N2O4
SMILES
CC(C1(CCNCC1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(=O)OC(C)C4(CCNCC4)C5=CC=CC=C5
InChI
InChI=1S/C34H40N2O4/c1-25(33(17-21-35-22-18-33)29-9-5-3-6-10-29)39-31(37)27-13-15-28(16-14-27)32(38)40-26(2)34(19-23-36-24-20-34)30-11-7-4-8-12-30/h3-16,25-26,35-36H,17-24H2,1-2H3
InChIKey
ODYKTPBKLUFWNS-UHFFFAOYSA-N
Compound name
bis[1-(4-phenylpiperidin-4-yl)ethyl] benzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.2988 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.30608 233.5
[M+Na]+ 563.28802 244.0
[M+NH4]+ 558.33262 240.8
[M+K]+ 579.26196 233.3
[M-H]- 539.29152 240.2
[M+Na-2H]- 561.27347 244.2
[M]+ 540.29825 237.0
[M]- 540.29935 237.0
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.