CID 23724655

7,2'-dihydroxy-4'-methoxyisoflavanol

Structural Information

Molecular Formula
C16H16O5
SMILES
COC1=CC(=C(C=C1)[C@@H]2COC3=C(C2O)C=CC(=C3)O)O
InChI
InChI=1S/C16H16O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,16-19H,8H2,1H3/t13-,16?/m0/s1
InChIKey
YZBBUYKPTHDZHF-KNVGNIICSA-N
Compound name
(3R)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,7-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

288.09976 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10704 163.3
[M+Na]+ 311.08898 171.3
[M-H]- 287.09248 168.3
[M+NH4]+ 306.13358 177.0
[M+K]+ 327.06292 168.6
[M+H-H2O]+ 271.09702 156.2
[M+HCOO]- 333.09796 179.4
[M+CH3COO]- 347.11361 196.1
[M+Na-2H]- 309.07443 167.7
[M]+ 288.09921 163.5
[M]- 288.10031 163.5
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

patents stripe