CID 15160710

Ponganone ix

Structural Information

Molecular Formula
C20H18O6
SMILES
COC1=C(C=CC2=C1C=CO2)C(=O)CC(C3=CC4=C(C=C3)OCO4)OC
InChI
InChI=1S/C20H18O6/c1-22-18(12-3-5-17-19(9-12)26-11-25-17)10-15(21)13-4-6-16-14(7-8-24-16)20(13)23-2/h3-9,18H,10-11H2,1-2H3
InChIKey
RANWLOKZQCJYQF-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-3-methoxy-1-(4-methoxy-1-benzofuran-5-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

354.11035 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 180.6
[M+Na]+ 377.09957 189.0
[M-H]- 353.10307 191.9
[M+NH4]+ 372.14417 194.8
[M+K]+ 393.07351 190.1
[M+H-H2O]+ 337.10761 175.4
[M+HCOO]- 399.10855 200.3
[M+CH3COO]- 413.12420 193.1
[M+Na-2H]- 375.08502 183.5
[M]+ 354.10980 190.4
[M]- 354.11090 190.4
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