CID 101000529

257877-45-5

Structural Information

Molecular Formula
C20H30N8
SMILES
C1CN(CCN1CCCCN2CCN(CC2)C3=NC=CC=N3)C4=NC=CC=N4
InChI
InChI=1S/C20H30N8/c1(9-25-11-15-27(16-12-25)19-21-5-3-6-22-19)2-10-26-13-17-28(18-14-26)20-23-7-4-8-24-20/h3-8H,1-2,9-18H2
InChIKey
JJVKBYFPRGPOFR-UHFFFAOYSA-N
Compound name
2-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperazin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.25934 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.26662 196.9
[M+Na]+ 405.24856 210.5
[M+NH4]+ 400.29316 201.4
[M+K]+ 421.22250 202.5
[M-H]- 381.25206 200.3
[M+Na-2H]- 403.23401 205.2
[M]+ 382.25879 199.5
[M]- 382.25989 199.5
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

No patent data available for this compound.