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 213.9
[M+Na]+ 488.20437 218.9
[M-H]- 464.20787 223.1
[M+NH4]+ 483.24897 221.6
[M+K]+ 504.17831 216.0
[M+H-H2O]+ 448.21241 203.2
[M+HCOO]- 510.21335 230.6
[M+CH3COO]- 524.22900 234.8
[M+Na-2H]- 486.18982 211.8
[M]+ 465.21460 220.5
[M]- 465.21570 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.