CID 38609

Brn 0950595

Structural Information

Molecular Formula
C25H31NO7
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCOCC3)C(CCC4=CC=CC=C4O)O
InChI
InChI=1S/C25H31NO7/c1-29-22-18-9-13-32-23(18)25(30-2)24(33-16-12-26-10-14-31-15-11-26)21(22)20(28)8-7-17-5-3-4-6-19(17)27/h3-6,9,13,20,27-28H,7-8,10-12,14-16H2,1-2H3
InChIKey
RCEUYVFZGBCCOQ-UHFFFAOYSA-N
Compound name
2-[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 209.3
[M+Na]+ 480.19927 213.7
[M-H]- 456.20277 217.0
[M+NH4]+ 475.24387 214.8
[M+K]+ 496.17321 212.6
[M+H-H2O]+ 440.20731 199.5
[M+HCOO]- 502.20825 222.6
[M+CH3COO]- 516.22390 229.2
[M+Na-2H]- 478.18472 208.4
[M]+ 457.20950 215.5
[M]- 457.21060 215.5
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.