CID 5281653

Methylswertianin

Structural Information

Molecular Formula
C15H12O6
SMILES
COC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)OC)O
InChI
InChI=1S/C15H12O6/c1-19-7-5-8(16)12-11(6-7)21-9-3-4-10(20-2)14(17)13(9)15(12)18/h3-6,16-17H,1-2H3
InChIKey
PUECEVJMPDNNHT-UHFFFAOYSA-N
Compound name
1,8-dihydroxy-2,6-dimethoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

10
Patents

288.0634 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07068 159.5
[M+Na]+ 311.05262 175.9
[M+NH4]+ 306.09722 166.9
[M+K]+ 327.02656 170.2
[M-H]- 287.05612 162.9
[M+Na-2H]- 309.03807 164.8
[M]+ 288.06285 163.0
[M]- 288.06395 163.0
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