CID 378687

5-hydroxy-1,3-dimethoxyxanthone

Structural Information

Molecular Formula
C15H12O5
SMILES
COC1=CC2=C(C(=C1)OC)C(=O)C3=C(O2)C(=CC=C3)O
InChI
InChI=1S/C15H12O5/c1-18-8-6-11(19-2)13-12(7-8)20-15-9(14(13)17)4-3-5-10(15)16/h3-7,16H,1-2H3
InChIKey
PAWPPMMKSKJGQV-UHFFFAOYSA-N
Compound name
5-hydroxy-1,3-dimethoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.06848 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.