CID 455464

Chembl10779

Structural Information

Molecular Formula
C28H42N6
SMILES
C1CN(CCN1)CC2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=C(C=C4)CN5CCNCC5
InChI
InChI=1S/C28H42N6/c1-5-27(6-2-25(1)21-31-13-9-29-10-14-31)23-33-17-19-34(20-18-33)24-28-7-3-26(4-8-28)22-32-15-11-30-12-16-32/h1-8,29-30H,9-24H2
InChIKey
PQCXGIXSKCFGJU-UHFFFAOYSA-N
Compound name
1,4-bis[[4-(piperazin-1-ylmethyl)phenyl]methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

462.3471 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.35438 220.2
[M+Na]+ 485.33632 216.9
[M-H]- 461.33982 220.4
[M+NH4]+ 480.38092 216.3
[M+K]+ 501.31026 206.1
[M+H-H2O]+ 445.34436 202.4
[M+HCOO]- 507.34530 219.0
[M+CH3COO]- 521.36095 219.6
[M+Na-2H]- 483.32177 215.7
[M]+ 462.34655 203.4
[M]- 462.34765 203.4
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

No patent data available for this compound.