CID 115465

1-(2-(n-(1,2-diphenylethyl)-n-methylamino)ethyl)-4-(2-pyrimidyl)piperazine trihydrochloride

Structural Information

Molecular Formula
C25H31N5
SMILES
CN(CCN1CCN(CC1)C2=NC=CC=N2)C(CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H31N5/c1-28(15-16-29-17-19-30(20-18-29)25-26-13-8-14-27-25)24(23-11-6-3-7-12-23)21-22-9-4-2-5-10-22/h2-14,24H,15-21H2,1H3
InChIKey
SJJONEGCDFBUQG-UHFFFAOYSA-N
Compound name
N-methyl-1,2-diphenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.25793 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.26521 201.0
[M+Na]+ 424.24715 215.7
[M+NH4]+ 419.29175 208.0
[M+K]+ 440.22109 206.2
[M-H]- 400.25065 208.7
[M+Na-2H]- 422.23260 212.8
[M]+ 401.25738 205.3
[M]- 401.25848 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.