CID 38613

40681-05-8

Structural Information

Molecular Formula
C26H33NO6
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCC3)C(CCC4=CC(=CC=C4)O)O
InChI
InChI=1S/C26H33NO6/c1-30-23-20-11-15-32-24(20)26(31-2)25(33-16-14-27-12-4-3-5-13-27)22(23)21(29)10-9-18-7-6-8-19(28)17-18/h6-8,11,15,17,21,28-29H,3-5,9-10,12-14,16H2,1-2H3
InChIKey
HHCOPHHIQMZKMN-UHFFFAOYSA-N
Compound name
3-[3-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
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 212.3
[M+Na]+ 478.21999 224.4
[M+NH4]+ 473.26459 217.7
[M+K]+ 494.19393 219.8
[M-H]- 454.22349 217.4
[M+Na-2H]- 476.20544 216.2
[M]+ 455.23022 215.4
[M]- 455.23132 215.4
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.