CID 5495918

Cudraxanthone s

Structural Information

Molecular Formula
C18H16O6
SMILES
CC(C)(C=C)C1=C(C2=C(C=C1O)OC3=C(C2=O)C=CC(=C3O)O)O
InChI
InChI=1S/C18H16O6/c1-4-18(2,3)13-10(20)7-11-12(16(13)23)14(21)8-5-6-9(19)15(22)17(8)24-11/h4-7,19-20,22-23H,1H2,2-3H3
InChIKey
AIUQKYDJHSRTBI-UHFFFAOYSA-N
Compound name
1,3,5,6-tetrahydroxy-2-(2-methylbut-3-en-2-yl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.0947 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 173.3
[M+Na]+ 351.08392 185.1
[M-H]- 327.08742 176.2
[M+NH4]+ 346.12852 186.5
[M+K]+ 367.05786 181.3
[M+H-H2O]+ 311.09196 167.4
[M+HCOO]- 373.09290 188.3
[M+CH3COO]- 387.10855 205.3
[M+Na-2H]- 349.06937 179.3
[M]+ 328.09415 178.3
[M]- 328.09525 178.3
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.