CID 216842

1-(2-benzylbenzyl)-4-benzylpiperazine di(hydrogen maleate)

Structural Information

Molecular Formula
C25H28N2
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3CC4=CC=CC=C4
InChI
InChI=1S/C25H28N2/c1-3-9-22(10-4-1)19-24-13-7-8-14-25(24)21-27-17-15-26(16-18-27)20-23-11-5-2-6-12-23/h1-14H,15-21H2
InChIKey
MCLUVZSAHBLUGC-UHFFFAOYSA-N
Compound name
1-benzyl-4-[(2-benzylphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

356.22525 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.23253 190.6
[M+Na]+ 379.21447 193.4
[M-H]- 355.21797 198.1
[M+NH4]+ 374.25907 198.9
[M+K]+ 395.18841 185.5
[M+H-H2O]+ 339.22251 177.2
[M+HCOO]- 401.22345 206.3
[M+CH3COO]- 415.23910 197.9
[M+Na-2H]- 377.19992 192.7
[M]+ 356.22470 184.8
[M]- 356.22580 184.8
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

patents stripe