CID 38580

40680-74-8

Structural Information

Molecular Formula
C25H31NO5
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCC3)C(CCC4=CC=CC=C4)O
InChI
InChI=1S/C25H31NO5/c1-28-22-19-12-16-30-23(19)25(29-2)24(31-17-15-26-13-6-7-14-26)21(22)20(27)11-10-18-8-4-3-5-9-18/h3-5,8-9,12,16,20,27H,6-7,10-11,13-15,17H2,1-2H3
InChIKey
GTPTUHNPPKOGQG-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.2202 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.22748 203.9
[M+Na]+ 448.20942 215.8
[M+NH4]+ 443.25402 210.2
[M+K]+ 464.18336 212.7
[M-H]- 424.21292 209.3
[M+Na-2H]- 446.19487 208.5
[M]+ 425.21965 207.1
[M]- 425.22075 207.1
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.