CID 6445755

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

Structural Information

Molecular Formula
C27H31NO6
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=C(C(=C2OCCN4CCCCC4)OC)OC=C3)OC
InChI
InChI=1S/C27H31NO6/c1-30-20-10-7-19(8-11-20)9-12-22(29)23-24(31-2)21-13-17-33-25(21)27(32-3)26(23)34-18-16-28-14-5-4-6-15-28/h7-13,17H,4-6,14-16,18H2,1-3H3/b12-9+
InChIKey
UNGIDXCYXJZIGP-FMIVXFBMSA-N
Compound name
(E)-1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.21515 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.22243 213.7
[M+Na]+ 488.20437 226.7
[M+NH4]+ 483.24897 219.0
[M+K]+ 504.17831 221.2
[M-H]- 464.20787 219.2
[M+Na-2H]- 486.18982 218.4
[M]+ 465.21460 217.0
[M]- 465.21570 217.0
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.