CID 38576

40680-70-4

Structural Information

Molecular Formula
C27H35NO6
SMILES
COC1=CC=C(C=C1)CCC(C2=C(C3=C(C(=C2OCCN4CCCCC4)OC)OC=C3)OC)O
InChI
InChI=1S/C27H35NO6/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/h7-8,10-11,13,17,22,29H,4-6,9,12,14-16,18H2,1-3H3
InChIKey
DCUIJRIPEXZKFA-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.24643 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.25371 216.3
[M+Na]+ 492.23565 228.6
[M+NH4]+ 487.28025 221.8
[M+K]+ 508.20959 223.5
[M-H]- 468.23915 221.8
[M+Na-2H]- 490.22110 220.5
[M]+ 469.24588 219.5
[M]- 469.24698 219.5
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.