CID 101000529

Gfl4f0bm3z

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 200.5
[M+Na]+ 405.24856 202.7
[M-H]- 381.25206 199.4
[M+NH4]+ 400.29316 199.2
[M+K]+ 421.22250 194.0
[M+H-H2O]+ 365.25660 183.2
[M+HCOO]- 427.25754 205.0
[M+CH3COO]- 441.27319 203.3
[M+Na-2H]- 403.23401 202.0
[M]+ 382.25879 191.9
[M]- 382.25989 191.9
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.