CID 5488808

1-hydroxy-3,7-dimethoxyxanthone

Structural Information

Molecular Formula
C15H12O5
SMILES
COC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)OC
InChI
InChI=1S/C15H12O5/c1-18-8-3-4-12-10(5-8)15(17)14-11(16)6-9(19-2)7-13(14)20-12/h3-7,16H,1-2H3
InChIKey
FWBPZAVSTQBRKT-UHFFFAOYSA-N
Compound name
1-hydroxy-3,7-dimethoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

22
Patents

272.06848 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 155.0
[M+Na]+ 295.05770 167.6
[M-H]- 271.06120 161.6
[M+NH4]+ 290.10230 172.3
[M+K]+ 311.03164 165.6
[M+H-H2O]+ 255.06574 148.1
[M+HCOO]- 317.06668 177.2
[M+CH3COO]- 331.08233 197.8
[M+Na-2H]- 293.04315 164.2
[M]+ 272.06793 163.2
[M]- 272.06903 163.2
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