CID 97332

Quercetin pentamethyl ether

Structural Information

Molecular Formula
C20H20O7
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)OC)OC
InChI
InChI=1S/C20H20O7/c1-22-12-9-15(25-4)17-16(10-12)27-19(20(26-5)18(17)21)11-6-7-13(23-2)14(8-11)24-3/h6-10H,1-5H3
InChIKey
ALGDHWVALRSLBT-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

246
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