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]+ 275.091416 159.1
[M+Na]+ 297.073358 167.2
[M-H]- 273.076864 162.9
[M+NH4]+ 292.117963 172.6
[M+K]+ 313.047298 163.7
[M+H-H2O]+ 257.081400 152.5
[M+HCOO]- 319.082341 174.0
[M+CH3COO]- 333.097991 191.0
[M+Na-2H]- 295.058806 163.5
[M]+ 274.08359142 157.2
[M]- 274.08468858 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.