CID 201690

Brn 0622047

Structural Information

Molecular Formula
C18H24N4
SMILES
CC(C1=CC=CC=N1)N2CCN(CC2)C(C)C3=CC=CC=N3
InChI
InChI=1S/C18H24N4/c1-15(17-7-3-5-9-19-17)21-11-13-22(14-12-21)16(2)18-8-4-6-10-20-18/h3-10,15-16H,11-14H2,1-2H3
InChIKey
BCFIJVCKBMKHIY-UHFFFAOYSA-N
Compound name
1,4-bis(1-pyridin-2-ylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.2001 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.20738 173.8
[M+Na]+ 319.18932 177.2
[M-H]- 295.19282 176.3
[M+NH4]+ 314.23392 182.2
[M+K]+ 335.16326 172.0
[M+H-H2O]+ 279.19736 161.3
[M+HCOO]- 341.19830 186.2
[M+CH3COO]- 355.21395 181.5
[M+Na-2H]- 317.17477 176.3
[M]+ 296.19955 168.3
[M]- 296.20065 168.3
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.