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 208.1
[M+Na]+ 476.16796 213.6
[M-H]- 452.17146 217.1
[M+NH4]+ 471.21256 214.2
[M+K]+ 492.14190 212.0
[M+H-H2O]+ 436.17600 198.2
[M+HCOO]- 498.17694 223.2
[M+CH3COO]- 512.19259 229.6
[M+Na-2H]- 474.15341 207.4
[M]+ 453.17819 214.4
[M]- 453.17929 214.4
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.