CID 38582

40680-75-9

Structural Information

Molecular Formula
C26H33NO5
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCC3)C(CCC4=CC=CC=C4)O
InChI
InChI=1S/C26H33NO5/c1-29-23-20-13-17-31-24(20)26(30-2)25(32-18-16-27-14-7-4-8-15-27)22(23)21(28)12-11-19-9-5-3-6-10-19/h3,5-6,9-10,13,17,21,28H,4,7-8,11-12,14-16,18H2,1-2H3
InChIKey
FSHDDNNUSAGQAU-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.23587 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.24315 207.9
[M+Na]+ 462.22509 211.7
[M-H]- 438.22859 215.5
[M+NH4]+ 457.26969 215.9
[M+K]+ 478.19903 208.4
[M+H-H2O]+ 422.23313 197.5
[M+HCOO]- 484.23407 223.0
[M+CH3COO]- 498.24972 228.0
[M+Na-2H]- 460.21054 206.5
[M]+ 439.23532 212.1
[M]- 439.23642 212.1
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.