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]+ 466.222426 213.9
[M+Na]+ 488.204368 218.9
[M-H]- 464.207874 223.1
[M+NH4]+ 483.248973 221.6
[M+K]+ 504.178308 216.0
[M+H-H2O]+ 448.212410 203.2
[M+HCOO]- 510.213351 230.6
[M+CH3COO]- 524.229001 234.8
[M+Na-2H]- 486.189816 211.8
[M]+ 465.21460142 220.5
[M]- 465.21569858 220.5
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.