CID 5355469

Flavokawain a

Structural Information

Molecular Formula
C18H18O5
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O
InChI
InChI=1S/C18H18O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3/b9-6+
InChIKey
CGIBCVBDFUTMPT-RMKNXTFCSA-N
Compound name
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

49
References

168
Patents

314.11542 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 172.4
[M+Na]+ 337.10464 185.9
[M+NH4]+ 332.14924 178.5
[M+K]+ 353.07858 179.6
[M-H]- 313.10814 174.9
[M+Na-2H]- 335.09009 178.8
[M]+ 314.11487 174.9
[M]- 314.11597 174.9
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

patents stripe