CID 3073539

149848-08-8

Structural Information

Molecular Formula
C28H32N2O2
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)OC(=O)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C28H32N2O2/c31-28(22-24-10-4-1-5-11-24)32-27(26-14-8-3-9-15-26)16-17-29-18-20-30(21-19-29)23-25-12-6-2-7-13-25/h1-15,27H,16-23H2
InChIKey
DWDLYWBBLCKYOP-UHFFFAOYSA-N
Compound name
[3-(4-benzylpiperazin-1-yl)-1-phenylpropyl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.24637 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.25365 209.8
[M+Na]+ 451.23559 224.2
[M+NH4]+ 446.28019 216.8
[M+K]+ 467.20953 214.1
[M-H]- 427.23909 217.2
[M+Na-2H]- 449.22104 220.4
[M]+ 428.24582 214.0
[M]- 428.24692 214.0
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.