CID 5280682

Ayanin

Structural Information

Molecular Formula
C18H16O7
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)O
InChI
InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3
InChIKey
KPCRYSMUMBNTCK-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

136
Patents

344.0896 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09688 176.3
[M+Na]+ 367.07882 191.9
[M+NH4]+ 362.12342 182.4
[M+K]+ 383.05276 186.5
[M-H]- 343.08232 180.6
[M+Na-2H]- 365.06427 181.8
[M]+ 344.08905 179.8
[M]- 344.09015 179.8
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