CID 6435304

2-propen-1-one, 1-(4,7-dimethoxy-6-(2-(4-morpholinyl)ethoxy)-5-benzofuranyl)-3-(3-hydroxyphenyl)-

Structural Information

Molecular Formula
C25H27NO7
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCOCC3)C(=O)/C=C/C4=CC(=CC=C4)O
InChI
InChI=1S/C25H27NO7/c1-29-22-19-8-12-32-23(19)25(30-2)24(33-15-11-26-9-13-31-14-10-26)21(22)20(28)7-6-17-4-3-5-18(27)16-17/h3-8,12,16,27H,9-11,13-15H2,1-2H3/b7-6+
InChIKey
DIDXXFHQGOMAPT-VOTSOKGWSA-N
Compound name
(E)-1-[4,7-dimethoxy-6-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.17874 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.18602 208.2
[M+Na]+ 476.16796 221.0
[M+NH4]+ 471.21256 212.8
[M+K]+ 492.14190 217.1
[M-H]- 452.17146 214.1
[M+Na-2H]- 474.15341 211.8
[M]+ 453.17819 211.6
[M]- 453.17929 211.6
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.