CID 129320481

(3r,4r)-7,2',4'-trihydroxyisoflavanol

Structural Information

Molecular Formula
C15H14O5
SMILES
C1[C@H]([C@H](C2=C(O1)C=C(C=C2)O)O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C15H14O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-6,12,15-19H,7H2/t12-,15-/m0/s1
InChIKey
GEFJKNBTBQBFOH-WFASDCNBSA-N
Compound name
(3R,4R)-3-(2,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-4,7-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

274.08414 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 159.1
[M+Na]+ 297.07336 167.2
[M-H]- 273.07686 162.9
[M+NH4]+ 292.11796 172.6
[M+K]+ 313.04730 163.7
[M+H-H2O]+ 257.08140 152.5
[M+HCOO]- 319.08234 174.0
[M+CH3COO]- 333.09799 191.0
[M+Na-2H]- 295.05881 163.5
[M]+ 274.08359 157.2
[M]- 274.08469 157.2
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.