CID 455454

Piperaz bis-pyrim deriv.

Structural Information

Molecular Formula
C24H30N8
SMILES
C1CN(CCN1CC2=CC(=CC=C2)CN3CCN(CC3)C4=NC=CC=N4)C5=NC=CC=N5
InChI
InChI=1S/C24H30N8/c1-4-21(19-29-10-14-31(15-11-29)23-25-6-2-7-26-23)18-22(5-1)20-30-12-16-32(17-13-30)24-27-8-3-9-28-24/h1-9,18H,10-17,19-20H2
InChIKey
DKSGOJXSQQIVPA-UHFFFAOYSA-N
Compound name
2-[4-[[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]piperazin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.25934 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.26662 211.9
[M+Na]+ 453.24856 214.3
[M-H]- 429.25206 213.7
[M+NH4]+ 448.29316 208.1
[M+K]+ 469.22250 203.6
[M+H-H2O]+ 413.25660 193.1
[M+HCOO]- 475.25754 215.8
[M+CH3COO]- 489.27319 214.0
[M+Na-2H]- 451.23401 212.9
[M]+ 430.25879 202.0
[M]- 430.25989 202.0
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.