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]+ 291.122696 164.2
[M+Na]+ 313.104638 172.1
[M-H]- 289.108144 171.8
[M+NH4]+ 308.149243 178.8
[M+K]+ 329.078578 171.0
[M+H-H2O]+ 273.112680 156.6
[M+HCOO]- 335.113621 185.6
[M+CH3COO]- 349.129271 201.6
[M+Na-2H]- 311.090086 167.6
[M]+ 290.11487142 169.2
[M]- 290.11596858 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.