CID 6476412

4-methoxy-6-(2,4-butadien-4-(3,4-methylendioxy-phenyl)-2h-yl-pyran-2-one

Structural Information

Molecular Formula
C17H14O5
SMILES
COC1=CC(=O)OC(=C1)/C=C/C=C\C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C17H14O5/c1-19-14-9-13(22-17(18)10-14)5-3-2-4-12-6-7-15-16(8-12)21-11-20-15/h2-10H,11H2,1H3/b4-2-,5-3+
InChIKey
WFXOIEWLUJHQPT-VOERYJCWSA-N
Compound name
6-[(1E,3Z)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-4-methoxypyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.08414 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09142 166.1
[M+Na]+ 321.07336 175.6
[M-H]- 297.07686 176.1
[M+NH4]+ 316.11796 180.3
[M+K]+ 337.04730 174.7
[M+H-H2O]+ 281.08140 159.7
[M+HCOO]- 343.08234 187.4
[M+CH3COO]- 357.09799 200.1
[M+Na-2H]- 319.05881 172.1
[M]+ 298.08359 172.3
[M]- 298.08469 172.3
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

No patent data available for this compound.