CID 627910

Ovalitenone

Structural Information

Molecular Formula
C19H14O6
SMILES
COC1=C(C=CC2=C1C=CO2)C(=O)CC(=O)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C19H14O6/c1-22-19-12(3-5-16-13(19)6-7-23-16)15(21)9-14(20)11-2-4-17-18(8-11)25-10-24-17/h2-8H,9-10H2,1H3
InChIKey
SDJBCBKWKASUCJ-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

338.07904 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08632 174.8
[M+Na]+ 361.06826 184.0
[M-H]- 337.07176 186.3
[M+NH4]+ 356.11286 189.6
[M+K]+ 377.04220 184.6
[M+H-H2O]+ 321.07630 169.9
[M+HCOO]- 383.07724 195.1
[M+CH3COO]- 397.09289 187.8
[M+Na-2H]- 359.05371 178.3
[M]+ 338.07849 183.7
[M]- 338.07959 183.7
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