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]+ 455.31694 218.4
[M+Na]+ 477.29888 217.8
[M-H]- 453.30238 224.3
[M+NH4]+ 472.34348 218.8
[M+K]+ 493.27282 208.1
[M+H-H2O]+ 437.30692 200.9
[M+HCOO]- 499.30786 226.0
[M+CH3COO]- 513.32351 221.1
[M+Na-2H]- 475.28433 216.2
[M]+ 454.30911 208.2
[M]- 454.31021 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