CID 5491353

Tricetin 4'-methyl ether

Structural Information

Molecular Formula
C16H12O7
SMILES
COC1=C(C=C(C=C1O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C16H12O7/c1-22-16-11(20)2-7(3-12(16)21)13-6-10(19)15-9(18)4-8(17)5-14(15)23-13/h2-6,17-18,20-21H,1H3
InChIKey
ONKNGUOZRAKQPG-UHFFFAOYSA-N
Compound name
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.0583 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.065576 167.0
[M+Na]+ 339.047518 178.0
[M-H]- 315.051024 172.1
[M+NH4]+ 334.092123 179.1
[M+K]+ 355.021458 175.4
[M+H-H2O]+ 299.055560 159.7
[M+HCOO]- 361.056501 184.7
[M+CH3COO]- 375.072151 200.4
[M+Na-2H]- 337.032966 171.5
[M]+ 316.05775142 171.2
[M]- 316.05884858 171.2
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.