CID 5320475

Quercetagetin 3-methyl ether

Structural Information

Molecular Formula
C16H12O8
SMILES
COC1=C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C16H12O8/c1-23-16-14(22)11-10(5-9(19)12(20)13(11)21)24-15(16)6-2-3-7(17)8(18)4-6/h2-5,17-21H,1H3
InChIKey
QZAXKZRZMAXPSF-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.05322 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.06050 170.4
[M+Na]+ 355.04244 181.3
[M-H]- 331.04594 174.4
[M+NH4]+ 350.08704 181.2
[M+K]+ 371.01638 179.0
[M+H-H2O]+ 315.05048 163.2
[M+HCOO]- 377.05142 186.5
[M+CH3COO]- 391.06707 202.5
[M+Na-2H]- 353.02789 173.8
[M]+ 332.05267 174.7
[M]- 332.05377 174.7
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.