CID 14353662

(3r)-7,2',3'-trihydroxy-4'-methoxyisoflavanone

Structural Information

Molecular Formula
C16H14O6
SMILES
COC1=C(C(=C(C=C1)[C@@H]2COC3=C(C2=O)C=CC(=C3)O)O)O
InChI
InChI=1S/C16H14O6/c1-21-12-5-4-9(15(19)16(12)20)11-7-22-13-6-8(17)2-3-10(13)14(11)18/h2-6,11,17,19-20H,7H2,1H3/t11-/m0/s1
InChIKey
DIBYNSQDXNQPSM-NSHDSACASA-N
Compound name
(3R)-3-(2,3-dihydroxy-4-methoxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.07904 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 165.0
[M+Na]+ 325.06826 174.0
[M-H]- 301.07176 170.4
[M+NH4]+ 320.11286 178.2
[M+K]+ 341.04220 171.5
[M+H-H2O]+ 285.07630 157.9
[M+HCOO]- 347.07724 181.4
[M+CH3COO]- 361.09289 199.2
[M+Na-2H]- 323.05371 168.8
[M]+ 302.07849 166.4
[M]- 302.07959 166.4
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

No patent data available for this compound.