CID 455465

Chembl10522

Structural Information

Molecular Formula
C28H54N6
SMILES
C1CCN(CC1)C2CCN(CC2)CCN3CCN(CC3)CCN4CCC(CC4)N5CCCCC5
InChI
InChI=1S/C28H54N6/c1-3-11-33(12-4-1)27-7-15-29(16-8-27)19-21-31-23-25-32(26-24-31)22-20-30-17-9-28(10-18-30)34-13-5-2-6-14-34/h27-28H,1-26H2
InChIKey
VZYHHBWLQQTRIH-UHFFFAOYSA-N
Compound name
1,4-bis[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

474.441 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.44828 230.1
[M+Na]+ 497.43022 221.4
[M-H]- 473.43372 230.0
[M+NH4]+ 492.47482 226.3
[M+K]+ 513.40416 213.8
[M+H-H2O]+ 457.43826 210.4
[M+HCOO]- 519.43920 223.2
[M+CH3COO]- 533.45485 227.1
[M+Na-2H]- 495.41567 219.0
[M]+ 474.44045 208.3
[M]- 474.44155 208.3
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.