CID 14135321

5,7,2',5'-tetrahydroxy-6-methoxyflavanone

Structural Information

Molecular Formula
C16H14O7
SMILES
COC1=C(C2=C(C=C1O)OC(CC2=O)C3=C(C=CC(=C3)O)O)O
InChI
InChI=1S/C16H14O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)8-4-7(17)2-3-9(8)18/h2-4,6,12,17-18,20-21H,5H2,1H3
InChIKey
OKLFAIHKOAWGQC-UHFFFAOYSA-N
Compound name
2-(2,5-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.07394 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08122 168.3
[M+Na]+ 341.06316 177.4
[M-H]- 317.06666 172.6
[M+NH4]+ 336.10776 180.2
[M+K]+ 357.03710 175.0
[M+H-H2O]+ 301.07120 161.3
[M+HCOO]- 363.07214 183.2
[M+CH3COO]- 377.08779 201.0
[M+Na-2H]- 339.04861 171.1
[M]+ 318.07339 169.8
[M]- 318.07449 169.8
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.