CID 5321873

5,7,3',5'-tetrahydroxy-6-methylflavanone

Structural Information

Molecular Formula
C16H14O6
SMILES
CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC(=CC(=C3)O)O)O
InChI
InChI=1S/C16H14O6/c1-7-11(19)5-14-15(16(7)21)12(20)6-13(22-14)8-2-9(17)4-10(18)3-8/h2-5,13,17-19,21H,6H2,1H3
InChIKey
UJGWWLIHIJYSGZ-UHFFFAOYSA-N
Compound name
2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6-methyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.07904 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 165.9
[M+Na]+ 325.06826 175.3
[M-H]- 301.07176 170.3
[M+NH4]+ 320.11286 178.6
[M+K]+ 341.04220 172.1
[M+H-H2O]+ 285.07630 159.3
[M+HCOO]- 347.07724 180.6
[M+CH3COO]- 361.09289 198.6
[M+Na-2H]- 323.05371 168.5
[M]+ 302.07849 166.0
[M]- 302.07959 166.0
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.