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 213.1
[M+Na]+ 471.25192 213.7
[M-H]- 447.25542 219.9
[M+NH4]+ 466.29652 213.4
[M+K]+ 487.22586 204.5
[M+H-H2O]+ 431.25996 196.6
[M+HCOO]- 493.26090 222.2
[M+CH3COO]- 507.27655 216.9
[M+Na-2H]- 469.23737 215.7
[M]+ 448.26215 205.3
[M]- 448.26325 205.3
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.