CID 11572819

10-methoxyyangonin

Structural Information

Molecular Formula
C16H16O5
SMILES
COC1=CC(=C(C=C1)/C=C/C2=CC(=CC(=O)O2)OC)OC
InChI
InChI=1S/C16H16O5/c1-18-12-6-4-11(15(9-12)20-3)5-7-13-8-14(19-2)10-16(17)21-13/h4-10H,1-3H3/b7-5+
InChIKey
AKMMSYGGUVGJEE-FNORWQNLSA-N
Compound name
6-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

288.09976 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10704 162.3
[M+Na]+ 311.08898 172.2
[M-H]- 287.09248 170.7
[M+NH4]+ 306.13358 177.2
[M+K]+ 327.06292 170.8
[M+H-H2O]+ 271.09702 154.5
[M+HCOO]- 333.09796 186.6
[M+CH3COO]- 347.11361 201.0
[M+Na-2H]- 309.07443 167.5
[M]+ 288.09921 170.1
[M]- 288.10031 170.1
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