CID 131752440

5,6-dihydro-11-methoxyyangonin

Structural Information

Molecular Formula
C16H18O5
SMILES
COC1=CC(=O)OC(C1)/C=C\C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C16H18O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h4-8,10,12H,9H2,1-3H3/b6-4-
InChIKey
FISBBPCLKKQWQA-XQRVVYSFSA-N
Compound name
2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.11542 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12270 164.2
[M+Na]+ 313.10464 172.1
[M-H]- 289.10814 171.8
[M+NH4]+ 308.14924 178.8
[M+K]+ 329.07858 171.0
[M+H-H2O]+ 273.11268 156.6
[M+HCOO]- 335.11362 185.6
[M+CH3COO]- 349.12927 201.6
[M+Na-2H]- 311.09009 167.6
[M]+ 290.11487 169.2
[M]- 290.11597 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.