CID 6445118

1-(2-pyridyl)-4-(3,4,5-trimethoxycinnamoyl)-piperazine

Structural Information

Molecular Formula
C21H25N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C21H25N3O4/c1-26-17-14-16(15-18(27-2)21(17)28-3)7-8-20(25)24-12-10-23(11-13-24)19-6-4-5-9-22-19/h4-9,14-15H,10-13H2,1-3H3/b8-7+
InChIKey
CNUQZRKZVDZZNO-BQYQJAHWSA-N
Compound name
(E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

383.1845 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.19178 193.7
[M+Na]+ 406.17372 207.0
[M+NH4]+ 401.21832 198.6
[M+K]+ 422.14766 200.1
[M-H]- 382.17722 196.9
[M+Na-2H]- 404.15917 200.4
[M]+ 383.18395 196.3
[M]- 383.18505 196.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.