CID 44259653

5,7,4'-trihydroxy-3-methoxy-6-methylflavone

Structural Information

Molecular Formula
C17H14O6
SMILES
CC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C17H14O6/c1-8-11(19)7-12-13(14(8)20)15(21)17(22-2)16(23-12)9-3-5-10(18)6-4-9/h3-7,18-20H,1-2H3
InChIKey
BPYMKJGMFYWQBI-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

314.07904 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.086316 168.5
[M+Na]+ 337.068258 179.8
[M-H]- 313.071764 174.8
[M+NH4]+ 332.112863 181.6
[M+K]+ 353.042198 177.0
[M+H-H2O]+ 297.076300 161.1
[M+HCOO]- 359.077241 187.2
[M+CH3COO]- 373.092891 202.9
[M+Na-2H]- 335.053706 172.7
[M]+ 314.07849142 173.4
[M]- 314.07958858 173.4
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