CID 10402297

Demethoxyegonol

Structural Information

Molecular Formula
C18H16O4
SMILES
C1OC2=C(O1)C=C(C=C2)C3=CC4=C(O3)C=CC(=C4)CCCO
InChI
InChI=1S/C18H16O4/c19-7-1-2-12-3-5-15-14(8-12)10-17(22-15)13-4-6-16-18(9-13)21-11-20-16/h3-6,8-10,19H,1-2,7,11H2
InChIKey
YQEPMZLWYOAQNI-UHFFFAOYSA-N
Compound name
3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

296.10486 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 164.2
[M+Na]+ 319.09408 179.1
[M+NH4]+ 314.13868 173.2
[M+K]+ 335.06802 176.1
[M-H]- 295.09758 172.4
[M+Na-2H]- 317.07953 169.2
[M]+ 296.10431 168.9
[M]- 296.10541 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe