CID 10643

Auranetin

Structural Information

Molecular Formula
C20H20O7
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)OC
InChI
InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)16-19(25-4)15(21)13-10-14(23-2)18(24-3)20(26-5)17(13)27-16/h6-10H,1-5H3
InChIKey
DGNOHOXRWCCDLK-UHFFFAOYSA-N
Compound name
3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

102
Patents

372.1209 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12818 183.9
[M+Na]+ 395.11012 200.2
[M+NH4]+ 390.15472 190.4
[M+K]+ 411.08406 193.8
[M-H]- 371.11362 189.2
[M+Na-2H]- 393.09557 190.2
[M]+ 372.12035 187.9
[M]- 372.12145 187.9
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