CID 45269778

O-demethylforbexanthone

Structural Information

Molecular Formula
C18H14O6
SMILES
CC1(C=CC2=CC3=C(C(=C2O1)O)OC4=CC(=CC(=C4C3=O)O)O)C
InChI
InChI=1S/C18H14O6/c1-18(2)4-3-8-5-10-14(21)13-11(20)6-9(19)7-12(13)23-17(10)15(22)16(8)24-18/h3-7,19-20,22H,1-2H3
InChIKey
WBKWHYDUDXOZIU-UHFFFAOYSA-N
Compound name
7,9,12-trihydroxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

326.07904 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08632 171.2
[M+Na]+ 349.06826 188.3
[M+NH4]+ 344.11286 180.3
[M+K]+ 365.04220 180.4
[M-H]- 325.07176 176.4
[M+Na-2H]- 347.05371 176.2
[M]+ 326.07849 175.5
[M]- 326.07959 175.5
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