CID 493303

1,2,3-trimethoxyxanthone

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=C(C(=C2C(=C1)OC3=CC=CC=C3C2=O)OC)OC
InChI
InChI=1S/C16H14O5/c1-18-12-8-11-13(16(20-3)15(12)19-2)14(17)9-6-4-5-7-10(9)21-11/h4-8H,1-3H3
InChIKey
CQDQINXEWIRADS-UHFFFAOYSA-N
Compound name
1,2,3-trimethoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

286.08414 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 159.5
[M+Na]+ 309.07336 172.1
[M-H]- 285.07686 167.3
[M+NH4]+ 304.11796 176.9
[M+K]+ 325.04730 170.7
[M+H-H2O]+ 269.08140 152.0
[M+HCOO]- 331.08234 182.8
[M+CH3COO]- 345.09799 203.1
[M+Na-2H]- 307.05881 168.6
[M]+ 286.08359 169.8
[M]- 286.08469 169.8
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