CID 38584

40680-76-0

Structural Information

Molecular Formula
C25H31NO6
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCOCC3)C(CCC4=CC=CC=C4)O
InChI
InChI=1S/C25H31NO6/c1-28-22-19-10-14-31-23(19)25(29-2)24(32-17-13-26-11-15-30-16-12-26)21(22)20(27)9-8-18-6-4-3-5-7-18/h3-7,10,14,20,27H,8-9,11-13,15-17H2,1-2H3
InChIKey
ROOSTWUKGSZWNS-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.21515 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.22243 206.8
[M+Na]+ 464.20437 211.0
[M-H]- 440.20787 215.3
[M+NH4]+ 459.24897 213.4
[M+K]+ 480.17831 209.7
[M+H-H2O]+ 424.21241 196.6
[M+HCOO]- 486.21335 221.4
[M+CH3COO]- 500.22900 227.7
[M+Na-2H]- 462.18982 206.5
[M]+ 441.21460 212.7
[M]- 441.21570 212.7
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.