CID 162412

Phaseollinisoflavan

Structural Information

Molecular Formula
C20H20O4
SMILES
CC1(C=CC2=C(O1)C=CC(=C2O)[C@H]3CC4=C(C=C(C=C4)O)OC3)C
InChI
InChI=1S/C20H20O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
InChIKey
UUJBHSNXZMGYBT-ZDUSSCGKSA-N
Compound name
6-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

13
Patents

324.13617 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.143446 176.2
[M+Na]+ 347.125388 184.7
[M-H]- 323.128894 183.7
[M+NH4]+ 342.169993 190.6
[M+K]+ 363.099328 182.1
[M+H-H2O]+ 307.133430 168.0
[M+HCOO]- 369.134371 189.4
[M+CH3COO]- 383.150021 186.8
[M+Na-2H]- 345.110836 182.1
[M]+ 324.13562142 176.2
[M]- 324.13671858 176.2
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.