CID 6433975

4,7-dimethoxy-6-(2-pyrrolidinylethoxy)-5-cinnamoylbenzofuran maleate

Structural Information

Molecular Formula
C25H27NO5
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCC3)C(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C25H27NO5/c1-28-22-19-12-16-30-23(19)25(29-2)24(31-17-15-26-13-6-7-14-26)21(22)20(27)11-10-18-8-4-3-5-9-18/h3-5,8-12,16H,6-7,13-15,17H2,1-2H3/b11-10+
InChIKey
MDTOKCDERKJGBF-ZHACJKMWSA-N
Compound name
(E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.18893 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.19621 201.8
[M+Na]+ 444.17815 214.3
[M+NH4]+ 439.22275 207.9
[M+K]+ 460.15209 210.8
[M-H]- 420.18165 207.2
[M+Na-2H]- 442.16360 206.8
[M]+ 421.18838 205.0
[M]- 421.18948 205.0
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.

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No patent data available for this compound.