CID 3041540

Brn 1610939

Structural Information

Molecular Formula
C26H35NO6
SMILES
COC1=C(C(=C(C2=C1CCO2)OC)OCCN3CCCCC3)C(CCC4=CC=C(C=C4)O)O
InChI
InChI=1S/C26H35NO6/c1-30-23-20-12-16-32-24(20)26(31-2)25(33-17-15-27-13-4-3-5-14-27)22(23)21(29)11-8-18-6-9-19(28)10-7-18/h6-7,9-10,21,28-29H,3-5,8,11-17H2,1-2H3
InChIKey
ADRLJLALLXWOGE-UHFFFAOYSA-N
Compound name
4-[3-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydro-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
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 211.5
[M+Na]+ 480.23565 213.4
[M-H]- 456.23915 217.3
[M+NH4]+ 475.28025 218.1
[M+K]+ 496.20959 210.7
[M+H-H2O]+ 440.24369 201.6
[M+HCOO]- 502.24463 222.4
[M+CH3COO]- 516.26028 230.2
[M+Na-2H]- 478.22110 207.6
[M]+ 457.24588 213.1
[M]- 457.24698 213.1
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.