CID 5479773

Chembl185138

Structural Information

Molecular Formula
C15H12O5
SMILES
COC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OC
InChI
InChI=1S/C15H12O5/c1-18-8-6-10(16)13-12(7-8)20-15-9(14(13)17)4-3-5-11(15)19-2/h3-7,16H,1-2H3
InChIKey
IVNMXDMMZVLIRJ-UHFFFAOYSA-N
Compound name
1-hydroxy-3,5-dimethoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
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