CID 21117850

Homoeriodictyol chalcone

Structural Information

Molecular Formula
C16H14O6
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)C2=C(C=C(C=C2O)O)O)O
InChI
InChI=1S/C16H14O6/c1-22-15-6-9(2-4-11(15)18)3-5-12(19)16-13(20)7-10(17)8-14(16)21/h2-8,17-18,20-21H,1H3/b5-3+
InChIKey
WQWVIIRCVOZVPN-HWKANZROSA-N
Compound name
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

302.07904 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 168.1
[M+Na]+ 325.06826 180.2
[M+NH4]+ 320.11286 172.8
[M+K]+ 341.04220 176.0
[M-H]- 301.07176 168.7
[M+Na-2H]- 323.05371 172.4
[M]+ 302.07849 169.7
[M]- 302.07959 169.7
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