CID 6434301

Benzofuran, 4,7-dimethoxy-5-(p-hydroxycinnamoyl)-6-(2-piperidinoethoxy)-, hydrochloride

Structural Information

Molecular Formula
C26H29NO6
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCC3)C(=O)/C=C/C4=CC=C(C=C4)O
InChI
InChI=1S/C26H29NO6/c1-30-23-20-12-16-32-24(20)26(31-2)25(33-17-15-27-13-4-3-5-14-27)22(23)21(29)11-8-18-6-9-19(28)10-7-18/h6-12,16,28H,3-5,13-15,17H2,1-2H3/b11-8+
InChIKey
SXHCPJCOFMWPKG-DHZHZOJOSA-N
Compound name
(E)-1-[4,7-dimethoxy-6-(2-piperidin-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

451.1995 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.20678 209.2
[M+Na]+ 474.18872 214.2
[M-H]- 450.19222 217.3
[M+NH4]+ 469.23332 216.8
[M+K]+ 490.16266 210.7
[M+H-H2O]+ 434.19676 199.0
[M+HCOO]- 496.19770 224.8
[M+CH3COO]- 510.21335 229.8
[M+Na-2H]- 472.17417 207.3
[M]+ 451.19895 213.8
[M]- 451.20005 213.8
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.