CID 332530

1,3,6,7-tetramethoxyxanthen-9-one

Structural Information

Molecular Formula
C17H16O6
SMILES
COC1=CC2=C(C(=C1)OC)C(=O)C3=CC(=C(C=C3O2)OC)OC
InChI
InChI=1S/C17H16O6/c1-19-9-5-14(22-4)16-15(6-9)23-11-8-13(21-3)12(20-2)7-10(11)17(16)18/h5-8H,1-4H3
InChIKey
SGQWQUYTTYVSBS-UHFFFAOYSA-N
Compound name
1,3,6,7-tetramethoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

316.0947 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.101976 167.2
[M+Na]+ 339.083918 179.9
[M-H]- 315.087424 175.1
[M+NH4]+ 334.128523 183.5
[M+K]+ 355.057858 179.2
[M+H-H2O]+ 299.091960 159.4
[M+HCOO]- 361.092901 190.2
[M+CH3COO]- 375.108551 209.6
[M+Na-2H]- 337.069366 175.1
[M]+ 316.09415142 179.6
[M]- 316.09524858 179.6
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