CID 5356121

Flavokawain b

Structural Information

Molecular Formula
C17H16O4
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=CC=C2)O
InChI
InChI=1S/C17H16O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3/b9-8+
InChIKey
QKQLSQLKXBHUSO-CMDGGOBGSA-N
Compound name
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

84
References

269
Patents

284.10486 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11214 163.9
[M+Na]+ 307.09408 171.6
[M-H]- 283.09758 169.7
[M+NH4]+ 302.13868 179.1
[M+K]+ 323.06802 168.0
[M+H-H2O]+ 267.10212 156.4
[M+HCOO]- 329.10306 186.0
[M+CH3COO]- 343.11871 198.8
[M+Na-2H]- 305.07953 166.7
[M]+ 284.10431 167.0
[M]- 284.10541 167.0
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