CID 3041542

54279-58-2

Structural Information

Molecular Formula
C26H35NO6
SMILES
COC1=CC=C(C=C1)CCC(C2=C(C3=C(C(=C2OCCN4CCCC4)OC)OCC3)OC)O
InChI
InChI=1S/C26H35NO6/c1-29-19-9-6-18(7-10-19)8-11-21(28)22-23(30-2)20-12-16-32-24(20)26(31-3)25(22)33-17-15-27-13-4-5-14-27/h6-7,9-10,21,28H,4-5,8,11-17H2,1-3H3
InChIKey
OWGLWFPOHRCCNU-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.24643 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.25371 211.4
[M+Na]+ 480.23565 214.6
[M-H]- 456.23915 219.4
[M+NH4]+ 475.28025 220.8
[M+K]+ 496.20959 212.6
[M+H-H2O]+ 440.24369 202.9
[M+HCOO]- 502.24463 226.2
[M+CH3COO]- 516.26028 231.6
[M+Na-2H]- 478.22110 206.2
[M]+ 457.24588 217.1
[M]- 457.24698 217.1
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.