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 203.0
[M+Na]+ 448.20942 208.1
[M-H]- 424.21292 211.7
[M+NH4]+ 443.25402 213.8
[M+K]+ 464.18336 205.2
[M+H-H2O]+ 408.21746 194.4
[M+HCOO]- 470.21840 220.9
[M+CH3COO]- 484.23405 224.6
[M+Na-2H]- 446.19487 200.5
[M]+ 425.21965 209.4
[M]- 425.22075 209.4
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.