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]+ 442.222426 206.8
[M+Na]+ 464.204368 211.0
[M-H]- 440.207874 215.3
[M+NH4]+ 459.248973 213.4
[M+K]+ 480.178308 209.7
[M+H-H2O]+ 424.212410 196.6
[M+HCOO]- 486.213351 221.4
[M+CH3COO]- 500.229001 227.7
[M+Na-2H]- 462.189816 206.5
[M]+ 441.21460142 212.7
[M]- 441.21569858 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.