CID 6445516

Pyrimidine, 2-(4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)piperazinyl)-, hydrochloride

Structural Information

Molecular Formula
C22H28N4O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)CCN2CCN(CC2)C3=NC=CC=N3
InChI
InChI=1S/C22H28N4O4/c1-28-19-15-17(16-20(29-2)21(19)30-3)5-6-18(27)7-10-25-11-13-26(14-12-25)22-23-8-4-9-24-22/h4-6,8-9,15-16H,7,10-14H2,1-3H3/b6-5+
InChIKey
IVTKSGIJYYDDIW-AATRIKPKSA-N
Compound name
(E)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.21106 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.21834 201.9
[M+Na]+ 435.20028 214.6
[M+NH4]+ 430.24488 205.7
[M+K]+ 451.17422 207.9
[M-H]- 411.20378 204.1
[M+Na-2H]- 433.18573 207.8
[M]+ 412.21051 204.1
[M]- 412.21161 204.1
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.