CID 455459

Piperaz bz pr deriv.

Structural Information

Molecular Formula
C25H36N4
SMILES
C1CN(CCN1CCCN2CCN(CC2)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C25H36N4/c1-3-8-24(9-4-1)22-28-18-14-26(15-19-28)12-7-13-27-16-20-29(21-17-27)23-25-10-5-2-6-11-25/h1-6,8-11H,7,12-23H2
InChIKey
KLMPDULPLRUXMT-UHFFFAOYSA-N
Compound name
1-benzyl-4-[3-(4-benzylpiperazin-1-yl)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

392.294 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.30128 202.5
[M+Na]+ 415.28322 202.2
[M-H]- 391.28672 205.9
[M+NH4]+ 410.32782 206.2
[M+K]+ 431.25716 194.3
[M+H-H2O]+ 375.29126 186.9
[M+HCOO]- 437.29220 211.1
[M+CH3COO]- 451.30785 206.5
[M+Na-2H]- 413.26867 201.6
[M]+ 392.29345 193.5
[M]- 392.29455 193.5
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

patents stripe