CID 38616

Brn 1672186

Structural Information

Molecular Formula
C27H35NO6
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCCC3)C(CCC4=CC=C(C=C4)O)O
InChI
InChI=1S/C27H35NO6/c1-31-24-21-13-17-33-25(21)27(32-2)26(34-18-16-28-14-5-3-4-6-15-28)23(24)22(30)12-9-19-7-10-20(29)11-8-19/h7-8,10-11,13,17,22,29-30H,3-6,9,12,14-16,18H2,1-2H3
InChIKey
WYHXFZRRIPUGQG-UHFFFAOYSA-N
Compound name
4-[3-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.24643 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.25371 218.3
[M+Na]+ 492.23565 227.8
[M+NH4]+ 487.28025 222.6
[M+K]+ 508.20959 224.4
[M-H]- 468.23915 222.5
[M+Na-2H]- 490.22110 221.1
[M]+ 469.24588 220.7
[M]- 469.24698 220.7
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.