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 208.0
[M+Na]+ 451.23559 207.9
[M-H]- 427.23909 214.8
[M+NH4]+ 446.28019 212.6
[M+K]+ 467.20953 201.3
[M+H-H2O]+ 411.24363 194.0
[M+HCOO]- 473.24457 221.2
[M+CH3COO]- 487.26022 213.2
[M+Na-2H]- 449.22104 207.3
[M]+ 428.24582 203.6
[M]- 428.24692 203.6
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.