CID 5317652

Glabrone

Structural Information

Molecular Formula
C20H16O5
SMILES
CC1(C=CC2=C(O1)C=CC(=C2O)C3=COC4=C(C3=O)C=CC(=C4)O)C
InChI
InChI=1S/C20H16O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-10,21-22H,1-2H3
InChIKey
COLMVFWKLOZOOP-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

82
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 175.7
[M+Na]+ 359.08898 193.2
[M+NH4]+ 354.13358 185.3
[M+K]+ 375.06292 184.2
[M-H]- 335.09248 183.3
[M+Na-2H]- 357.07443 183.4
[M]+ 336.09921 180.8
[M]- 336.10031 180.8
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