CID 38589

40680-80-6

Structural Information

Molecular Formula
C26H33NO6
SMILES
COC1=CC=C(C=C1)CCC(C2=C(C3=C(C(=C2OCCN4CCCC4)OC)OC=C3)OC)O
InChI
InChI=1S/C26H33NO6/c1-29-19-9-6-18(7-10-19)8-11-21(28)22-23(30-2)20-12-16-32-24(20)26(31-3)25(22)33-17-15-27-13-4-5-14-27/h6-7,9-10,12,16,21,28H,4-5,8,11,13-15,17H2,1-3H3
InChIKey
FIGVREWYFJWCGB-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-pyrrolidin-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

455.23077 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.238046 210.1
[M+Na]+ 478.219988 215.3
[M-H]- 454.223494 219.0
[M+NH4]+ 473.264593 219.8
[M+K]+ 494.193928 213.1
[M+H-H2O]+ 438.228030 201.5
[M+HCOO]- 500.228971 227.7
[M+CH3COO]- 514.244621 230.8
[M+Na-2H]- 476.205436 206.7
[M]+ 455.23022142 218.6
[M]- 455.23131858 218.6
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.