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

1
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 164.8
[M+Na]+ 319.09408 174.8
[M-H]- 295.09758 175.0
[M+NH4]+ 314.13868 181.3
[M+K]+ 335.06802 173.5
[M+H-H2O]+ 279.10212 160.2
[M+HCOO]- 341.10306 185.4
[M+CH3COO]- 355.11871 178.3
[M+Na-2H]- 317.07953 170.5
[M]+ 296.10431 171.5
[M]- 296.10541 171.5
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.