CID 3073538

149848-07-7

Structural Information

Molecular Formula
C27H30N2O2
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C27H30N2O2/c30-27(25-14-8-3-9-15-25)31-26(24-12-6-2-7-13-24)16-17-28-18-20-29(21-19-28)22-23-10-4-1-5-11-23/h1-15,26H,16-22H2
InChIKey
BXIQIYAUMJYCLS-UHFFFAOYSA-N
Compound name
[3-(4-benzylpiperazin-1-yl)-1-phenylpropyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.23074 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.23802 205.4
[M+Na]+ 437.21996 220.0
[M+NH4]+ 432.26456 212.6
[M+K]+ 453.19390 210.2
[M-H]- 413.22346 212.8
[M+Na-2H]- 435.20541 216.3
[M]+ 414.23019 209.6
[M]- 414.23129 209.6
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.