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 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

No literature data available for this compound.

Patent stripe

patents stripe