CID 455452

Piperaz ph pyrim deriv.

Structural Information

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

79
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

patents stripe