CID 120981

1057-74-5

Structural Information

Molecular Formula
C24H34N4
SMILES
C1CN(CCN1CCN2CCN(CC2)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C24H34N4/c1-3-7-23(8-4-1)21-27-17-13-25(14-18-27)11-12-26-15-19-28(20-16-26)22-24-9-5-2-6-10-24/h1-10H,11-22H2
InChIKey
MUSJGTFXLISAIS-UHFFFAOYSA-N
Compound name
1-benzyl-4-[2-(4-benzylpiperazin-1-yl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.27835 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.28563 198.5
[M+Na]+ 401.26757 198.6
[M-H]- 377.27107 202.1
[M+NH4]+ 396.31217 202.8
[M+K]+ 417.24151 190.9
[M+H-H2O]+ 361.27561 183.1
[M+HCOO]- 423.27655 207.4
[M+CH3COO]- 437.29220 203.0
[M+Na-2H]- 399.25302 198.1
[M]+ 378.27780 189.2
[M]- 378.27890 189.2
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.