CID 118315

(+-)-2-(4-(2-methyl-3,3,3-triphenylpropyl)-1-piperazinyl)pyrimidine dimethanesulfonate

Structural Information

Molecular Formula
C30H32N4
SMILES
CC(CN1CCN(CC1)C2=NC=CC=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H32N4/c1-25(24-33-20-22-34(23-21-33)29-31-18-11-19-32-29)30(26-12-5-2-6-13-26,27-14-7-3-8-15-27)28-16-9-4-10-17-28/h2-19,25H,20-24H2,1H3
InChIKey
UFLSVEQPIJUKGZ-UHFFFAOYSA-N
Compound name
2-[4-(2-methyl-3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.2627 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.26998 214.8
[M+Na]+ 471.25192 231.9
[M+NH4]+ 466.29652 222.1
[M+K]+ 487.22586 221.2
[M-H]- 447.25542 223.9
[M+Na-2H]- 469.23737 229.0
[M]+ 448.26215 220.1
[M]- 448.26325 220.1
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.