CID 120371

751-82-6

Structural Information

Molecular Formula
C30H38N4
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC3=CC=C(C=C3)CN4CCN(CC4)CC5=CC=CC=C5
InChI
InChI=1S/C30H38N4/c1-3-7-27(8-4-1)23-31-15-19-33(20-16-31)25-29-11-13-30(14-12-29)26-34-21-17-32(18-22-34)24-28-9-5-2-6-10-28/h1-14H,15-26H2
InChIKey
DZFUZRXSOLWLLJ-UHFFFAOYSA-N
Compound name
1-benzyl-4-[[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

454.30966 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.316936 218.4
[M+Na]+ 477.298878 217.8
[M-H]- 453.302384 224.3
[M+NH4]+ 472.343483 218.8
[M+K]+ 493.272818 208.1
[M+H-H2O]+ 437.306920 200.9
[M+HCOO]- 499.307861 226.0
[M+CH3COO]- 513.323511 221.1
[M+Na-2H]- 475.284326 216.2
[M]+ 454.30911142 208.2
[M]- 454.31020858 208.2
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

patents stripe