CID 13260367

1-piperazineacetamide, 4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-n-((3,4,5-trimethoxyphenyl)methyl)-, (e)-

Structural Information

Molecular Formula
C28H37N3O8
SMILES
COC1=CC(=CC(=C1OC)OC)CNC(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C28H37N3O8/c1-34-21-13-19(14-22(35-2)27(21)38-5)7-8-26(33)31-11-9-30(10-12-31)18-25(32)29-17-20-15-23(36-3)28(39-6)24(16-20)37-4/h7-8,13-16H,9-12,17-18H2,1-6H3,(H,29,32)/b8-7+
InChIKey
BFBAFEHBWIZCKG-BQYQJAHWSA-N
Compound name
N-[(3,4,5-trimethoxyphenyl)methyl]-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.25806 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.26534 230.6
[M+Na]+ 566.24728 233.1
[M-H]- 542.25078 236.6
[M+NH4]+ 561.29188 232.0
[M+K]+ 582.22122 231.6
[M+H-H2O]+ 526.25532 217.8
[M+HCOO]- 588.25626 245.2
[M+CH3COO]- 602.27191 254.3
[M+Na-2H]- 564.23273 225.6
[M]+ 543.25751 238.2
[M]- 543.25861 238.2
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.