CID 5479776

1,3,6-trihydroxy-5,7-dimethoxyxanthen-9-one

Structural Information

Molecular Formula
C15H12O7
SMILES
COC1=C(C(=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)O)O)OC)O
InChI
InChI=1S/C15H12O7/c1-20-10-5-7-12(18)11-8(17)3-6(16)4-9(11)22-14(7)15(21-2)13(10)19/h3-5,16-17,19H,1-2H3
InChIKey
QHODVXXXBGXNKC-UHFFFAOYSA-N
Compound name
1,3,6-trihydroxy-5,7-dimethoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.0583 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06558 161.7
[M+Na]+ 327.04752 174.5
[M-H]- 303.05102 166.2
[M+NH4]+ 322.09212 176.5
[M+K]+ 343.02146 172.7
[M+H-H2O]+ 287.05556 155.0
[M+HCOO]- 349.05650 180.9
[M+CH3COO]- 363.07215 200.9
[M+Na-2H]- 325.03297 168.9
[M]+ 304.05775 170.1
[M]- 304.05885 170.1
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

No patent data available for this compound.