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]+ 303.086316 165.0
[M+Na]+ 325.068258 174.0
[M-H]- 301.071764 170.4
[M+NH4]+ 320.112863 178.2
[M+K]+ 341.042198 171.5
[M+H-H2O]+ 285.076300 157.9
[M+HCOO]- 347.077241 181.4
[M+CH3COO]- 361.092891 199.2
[M+Na-2H]- 323.053706 168.8
[M]+ 302.07849142 166.4
[M]- 302.07958858 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.