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 202.2
[M+Na]+ 444.17815 208.4
[M-H]- 420.18165 212.3
[M+NH4]+ 439.22275 213.7
[M+K]+ 460.15209 205.0
[M+H-H2O]+ 404.18619 193.4
[M+HCOO]- 466.18713 221.9
[M+CH3COO]- 480.20278 224.9
[M+Na-2H]- 442.16360 199.8
[M]+ 421.18838 208.8
[M]- 421.18948 208.8
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.