CID 38610

Brn 0950296

Structural Information

Molecular Formula
C25H31NO7
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCOCC3)C(CCC4=CC(=CC=C4)O)O
InChI
InChI=1S/C25H31NO7/c1-29-22-19-8-12-32-23(19)25(30-2)24(33-15-11-26-9-13-31-14-10-26)21(22)20(28)7-6-17-4-3-5-18(27)16-17/h3-5,8,12,16,20,27-28H,6-7,9-11,13-15H2,1-2H3
InChIKey
DLRLDOVAWROZNJ-UHFFFAOYSA-N
Compound name
3-[3-[4,7-dimethoxy-6-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.21005 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.21733 210.9
[M+Na]+ 480.19927 223.0
[M+NH4]+ 475.24387 215.7
[M+K]+ 496.17321 219.6
[M-H]- 456.20277 216.9
[M+Na-2H]- 478.18472 214.1
[M]+ 457.20950 214.2
[M]- 457.21060 214.2
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.