CID 632128

Quercetin 3,5,7,4'-tetramethyl ether

Structural Information

Molecular Formula
C19H18O7
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)OC)O
InChI
InChI=1S/C19H18O7/c1-22-11-8-14(24-3)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)12(20)7-10/h5-9,20H,1-4H3
InChIKey
DUTKEQCBGLKZRI-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-4-methoxyphenyl)-3,5,7-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

358.10526 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11254 180.1
[M+Na]+ 381.09448 196.1
[M+NH4]+ 376.13908 186.4
[M+K]+ 397.06842 190.2
[M-H]- 357.09798 184.9
[M+Na-2H]- 379.07993 186.0
[M]+ 358.10471 183.9
[M]- 358.10581 183.9
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