CID 6434438

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

Structural Information

Molecular Formula
C25H27NO6
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCC3)C(=O)/C=C/C4=CC=C(C=C4)O
InChI
InChI=1S/C25H27NO6/c1-29-22-19-11-15-31-23(19)25(30-2)24(32-16-14-26-12-3-4-13-26)21(22)20(28)10-7-17-5-8-18(27)9-6-17/h5-11,15,27H,3-4,12-14,16H2,1-2H3/b10-7+
InChIKey
ATSRERFJFMAMQK-JXMROGBWSA-N
Compound name
(E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.18384 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.19112 205.3
[M+Na]+ 460.17306 217.0
[M+NH4]+ 455.21766 210.4
[M+K]+ 476.14700 214.6
[M-H]- 436.17656 209.7
[M+Na-2H]- 458.15851 209.0
[M]+ 437.18329 208.0
[M]- 437.18439 208.0
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.

Patent stripe

No patent data available for this compound.