CID 5322078

4'-hydroxywogonin

Structural Information

Molecular Formula
C16H12O6
SMILES
COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=C(C=C3)O)O)O
InChI
InChI=1S/C16H12O6/c1-21-15-12(20)6-10(18)14-11(19)7-13(22-16(14)15)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
InChIKey
OEZZJTAJYYSQKM-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

83
Patents

300.0634 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07068 163.6
[M+Na]+ 323.05262 174.5
[M-H]- 299.05612 169.7
[M+NH4]+ 318.09722 177.0
[M+K]+ 339.02656 171.7
[M+H-H2O]+ 283.06066 156.3
[M+HCOO]- 345.06160 182.8
[M+CH3COO]- 359.07725 198.5
[M+Na-2H]- 321.03807 169.1
[M]+ 300.06285 167.7
[M]- 300.06395 167.7
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