CID 3041543

Brn 1609635

Structural Information

Molecular Formula
C26H35NO5
SMILES
COC1=C(C(=C(C2=C1CCO2)OC)OCCN3CCCCC3)C(CCC4=CC=CC=C4)O
InChI
InChI=1S/C26H35NO5/c1-29-23-20-13-17-31-24(20)26(30-2)25(32-18-16-27-14-7-4-8-15-27)22(23)21(28)12-11-19-9-5-3-6-10-19/h3,5-6,9-10,21,28H,4,7-8,11-18H2,1-2H3
InChIKey
PXKQOGKNKPNNHZ-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydro-1-benzofuran-5-yl]-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.25153 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.25881 209.1
[M+Na]+ 464.24075 210.9
[M-H]- 440.24425 215.8
[M+NH4]+ 459.28535 216.9
[M+K]+ 480.21469 207.9
[M+H-H2O]+ 424.24879 198.8
[M+HCOO]- 486.24973 221.3
[M+CH3COO]- 500.26538 228.7
[M+Na-2H]- 462.22620 205.8
[M]+ 441.25098 210.5
[M]- 441.25208 210.5
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.