CID 5357345

Heliannone a

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=C(C(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)O)O)OC
InChI
InChI=1S/C17H16O5/c1-21-15-10-8-13(16(20)17(15)22-2)14(19)9-5-11-3-6-12(18)7-4-11/h3-10,18,20H,1-2H3/b9-5+
InChIKey
RURQJVCNVGERHF-WEVVVXLNSA-N
Compound name
(E)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

300.09976 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 168.6
[M+Na]+ 323.08898 181.7
[M+NH4]+ 318.13358 174.5
[M+K]+ 339.06292 176.0
[M-H]- 299.09248 170.6
[M+Na-2H]- 321.07443 174.6
[M]+ 300.09921 170.9
[M]- 300.10031 170.9
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

No patent data available for this compound.