CID 6435332

4-morpholinocarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl ketone maleate

Structural Information

Molecular Formula
C23H33N3O6
SMILES
COC1=C(C(=C(C=C1)/C=C/CC(=O)N2CCN(CC2)CC(=O)N3CCOCC3)OC)OC
InChI
InChI=1S/C23H33N3O6/c1-29-19-8-7-18(22(30-2)23(19)31-3)5-4-6-20(27)25-11-9-24(10-12-25)17-21(28)26-13-15-32-16-14-26/h4-5,7-8H,6,9-17H2,1-3H3/b5-4+
InChIKey
HLBGNJYBXMBEAT-SNAWJCMRSA-N
Compound name
(E)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.23694 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.24422 210.0
[M+Na]+ 470.22616 211.1
[M-H]- 446.22966 214.0
[M+NH4]+ 465.27076 212.4
[M+K]+ 486.20010 209.3
[M+H-H2O]+ 430.23420 197.5
[M+HCOO]- 492.23514 218.6
[M+CH3COO]- 506.25079 230.3
[M+Na-2H]- 468.21161 205.8
[M]+ 447.23639 209.5
[M]- 447.23749 209.5
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.