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]+ 329.10198 171.4
[M+Na]+ 351.08392 185.5
[M-H]- 327.08742 177.8
[M+NH4]+ 346.12852 189.0
[M+K]+ 367.05786 182.8
[M+H-H2O]+ 311.09196 166.6
[M+HCOO]- 373.09290 187.4
[M+CH3COO]- 387.10855 184.5
[M+Na-2H]- 349.06937 177.4
[M]+ 328.09415 179.1
[M]- 328.09525 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.