CID 38608

40681-00-3

Structural Information

Molecular Formula
C25H31NO6
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCC3)C(CCC4=CC=C(C=C4)O)O
InChI
InChI=1S/C25H31NO6/c1-29-22-19-11-15-31-23(19)25(30-2)24(32-16-14-26-12-3-4-13-26)21(22)20(28)10-7-17-5-8-18(27)9-6-17/h5-6,8-9,11,15,20,27-28H,3-4,7,10,12-14,16H2,1-2H3
InChIKey
JCINDSKUTAWEHY-UHFFFAOYSA-N
Compound name
4-[3-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.21515 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.22243 207.3
[M+Na]+ 464.20437 218.5
[M+NH4]+ 459.24897 212.7
[M+K]+ 480.17831 216.5
[M-H]- 440.20787 211.8
[M+Na-2H]- 462.18982 210.6
[M]+ 441.21460 210.0
[M]- 441.21570 210.0
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.