CID 23872092

Sydowinin a

Structural Information

Molecular Formula
C16H12O6
SMILES
COC(=O)C1=C2C(=CC=C1)OC3=CC(=CC(=C3C2=O)O)CO
InChI
InChI=1S/C16H12O6/c1-21-16(20)9-3-2-4-11-13(9)15(19)14-10(18)5-8(7-17)6-12(14)22-11/h2-6,17-18H,7H2,1H3
InChIKey
UBYOEDLUKKPPPN-UHFFFAOYSA-N
Compound name
methyl 8-hydroxy-6-(hydroxymethyl)-9-oxoxanthene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

300.0634 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07068 161.9
[M+Na]+ 323.05262 173.4
[M-H]- 299.05612 167.0
[M+NH4]+ 318.09722 177.0
[M+K]+ 339.02656 171.1
[M+H-H2O]+ 283.06066 155.0
[M+HCOO]- 345.06160 181.5
[M+CH3COO]- 359.07725 200.5
[M+Na-2H]- 321.03807 169.1
[M]+ 300.06285 168.7
[M]- 300.06395 168.7
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