CID 218470

40680-81-7

Structural Information

Molecular Formula
C26H33NO7
SMILES
COC1=CC=C(C=C1)CCC(C2=C(C3=C(C(=C2OCCN4CCOCC4)OC)OC=C3)OC)O
InChI
InChI=1S/C26H33NO7/c1-29-19-7-4-18(5-8-19)6-9-21(28)22-23(30-2)20-10-14-33-24(20)26(31-3)25(22)34-17-13-27-11-15-32-16-12-27/h4-5,7-8,10,14,21,28H,6,9,11-13,15-17H2,1-3H3
InChIKey
GMSBDVZVJWWSNW-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-morpholin-4-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

471.2257 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.23298 214.1
[M+Na]+ 494.21492 218.5
[M-H]- 470.21842 222.8
[M+NH4]+ 489.25952 219.6
[M+K]+ 510.18886 217.9
[M+H-H2O]+ 454.22296 203.8
[M+HCOO]- 516.22390 228.5
[M+CH3COO]- 530.23955 234.1
[M+Na-2H]- 492.20037 212.9
[M]+ 471.22515 222.2
[M]- 471.22625 222.2
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.