CID 11244593

Puerarone

Structural Information

Molecular Formula
C20H16O5
SMILES
CC1(C=CC2=CC(=C(C=C2O1)O)C3=COC4=C(C3=O)C=CC(=C4)O)C
InChI
InChI=1S/C20H16O5/c1-20(2)6-5-11-7-14(16(22)9-17(11)25-20)15-10-24-18-8-12(21)3-4-13(18)19(15)23/h3-10,21-22H,1-2H3
InChIKey
FVHSNXLHIGTMBF-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(7-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.09976 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10704 177.2
[M+Na]+ 359.08898 188.6
[M-H]- 335.09248 185.9
[M+NH4]+ 354.13358 191.3
[M+K]+ 375.06292 186.1
[M+H-H2O]+ 319.09702 168.8
[M+HCOO]- 381.09796 193.5
[M+CH3COO]- 395.11361 189.1
[M+Na-2H]- 357.07443 184.5
[M]+ 336.09921 181.3
[M]- 336.10031 181.3
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

No patent data available for this compound.