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]+ 456.23805 210.1
[M+Na]+ 478.21999 215.3
[M-H]- 454.22349 219.0
[M+NH4]+ 473.26459 219.8
[M+K]+ 494.19393 213.1
[M+H-H2O]+ 438.22803 201.5
[M+HCOO]- 500.22897 227.7
[M+CH3COO]- 514.24462 230.8
[M+Na-2H]- 476.20544 206.7
[M]+ 455.23022 218.6
[M]- 455.23132 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.