CID 5316900

Quercetin 3,3'-dimethyl ether

Structural Information

Molecular Formula
C17H14O7
SMILES
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)O
InChI
InChI=1S/C17H14O7/c1-22-12-5-8(3-4-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3
InChIKey
FMEHGPQTMOPUGM-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

133
Patents

330.07394 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08122 172.4
[M+Na]+ 353.06316 187.7
[M+NH4]+ 348.10776 178.3
[M+K]+ 369.03710 182.8
[M-H]- 329.06666 176.2
[M+Na-2H]- 351.04861 177.5
[M]+ 330.07339 175.6
[M]- 330.07449 175.6
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