CID 3051380

1-(2-pyrimidyl)-4-(3,4,5-trimethoxybenzoylethyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C20H26N4O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)C3=NC=CC=N3
InChI
InChI=1S/C20H26N4O4/c1-26-17-13-15(14-18(27-2)19(17)28-3)16(25)5-8-23-9-11-24(12-10-23)20-21-6-4-7-22-20/h4,6-7,13-14H,5,8-12H2,1-3H3
InChIKey
FXTOCDXGAHVEJR-UHFFFAOYSA-N
Compound name
3-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1954 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.20268 194.2
[M+Na]+ 409.18462 207.3
[M+NH4]+ 404.22922 198.7
[M+K]+ 425.15856 201.1
[M-H]- 385.18812 196.8
[M+Na-2H]- 407.17007 200.7
[M]+ 386.19485 196.6
[M]- 386.19595 196.6
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.