CID 124052

Glabridin

Structural Information

Molecular Formula
C20H20O4
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OC[C@H](C3)C4=C(C=C(C=C4)O)O)C
InChI
InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
InChIKey
LBQIJVLKGVZRIW-ZDUSSCGKSA-N
Compound name
4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

271
References

6599
Patents

324.13617 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 176.2
[M+Na]+ 347.12539 184.7
[M-H]- 323.12889 183.7
[M+NH4]+ 342.16999 190.6
[M+K]+ 363.09933 182.1
[M+H-H2O]+ 307.13343 168.0
[M+HCOO]- 369.13437 189.4
[M+CH3COO]- 383.15002 186.8
[M+Na-2H]- 345.11084 182.1
[M]+ 324.13562 176.2
[M]- 324.13672 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

literature stripe

Patent stripe

patents stripe