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]+ 299.091416 166.1
[M+Na]+ 321.073358 175.6
[M-H]- 297.076864 176.1
[M+NH4]+ 316.117963 180.3
[M+K]+ 337.047298 174.7
[M+H-H2O]+ 281.081400 159.7
[M+HCOO]- 343.082341 187.4
[M+CH3COO]- 357.097991 200.1
[M+Na-2H]- 319.058806 172.1
[M]+ 298.08359142 172.3
[M]- 298.08468858 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.