CID 24796468

Hispidin, tri-o-methyl-, cis-

Structural Information

Molecular Formula
C16H16O5
SMILES
COC1=C(C=C(C=C1)/C=C\C2=CC(=CC(=O)O2)OC)OC
InChI
InChI=1S/C16H16O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h4-10H,1-3H3/b6-4-
InChIKey
GBJRDULCMRSYSL-XQRVVYSFSA-N
Compound name
6-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 163.1
[M+Na]+ 311.08898 178.3
[M+NH4]+ 306.13358 169.9
[M+K]+ 327.06292 171.6
[M-H]- 287.09248 167.7
[M+Na-2H]- 309.07443 170.5
[M]+ 288.09921 166.6
[M]- 288.10031 166.6
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

patents stripe