CID 71296175

7,2'-dihydroxy-4'-methoxyisoflavan quinonemethide

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=CC(=C(C=C1)[C@@H]2COC3=CC(=O)C=CC3=C2)O
InChI
InChI=1S/C16H14O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-8,11,18H,9H2,1H3/t11-/m0/s1
InChIKey
KCTKXFBGHRYYHF-NSHDSACASA-N
Compound name
(3R)-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

270.0892 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 158.3
[M+Na]+ 293.07842 166.8
[M-H]- 269.08192 165.7
[M+NH4]+ 288.12302 173.8
[M+K]+ 309.05236 164.3
[M+H-H2O]+ 253.08646 150.8
[M+HCOO]- 315.08740 177.5
[M+CH3COO]- 329.10305 196.3
[M+Na-2H]- 291.06387 164.1
[M]+ 270.08865 159.4
[M]- 270.08975 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.