CID 5495919

Toxyloxanthone c

Structural Information

Molecular Formula
C18H16O6
SMILES
CC1C(C2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C(=C(C=C4)O)O)(C)C
InChI
InChI=1S/C18H16O6/c1-7-18(2,3)13-11(23-7)6-10-12(16(13)22)14(20)8-4-5-9(19)15(21)17(8)24-10/h4-7,19,21-22H,1-3H3
InChIKey
UMGNGSNVYJDUQS-UHFFFAOYSA-N
Compound name
4,8,9-trihydroxy-2,3,3-trimethyl-2H-furo[3,2-b]xanthen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

328.0947 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.101976 171.4
[M+Na]+ 351.083918 185.5
[M-H]- 327.087424 177.8
[M+NH4]+ 346.128523 189.0
[M+K]+ 367.057858 182.8
[M+H-H2O]+ 311.091960 166.6
[M+HCOO]- 373.092901 187.4
[M+CH3COO]- 387.108551 184.5
[M+Na-2H]- 349.069366 177.4
[M]+ 328.09415142 179.1
[M]- 328.09524858 179.1
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.