CID 5317762

Glycyrrhisoflavanone

Structural Information

Molecular Formula
C21H20O6
SMILES
CC1(C=CC2=C(O1)C(=CC(=C2)C3COC4=C(C3=O)C(=CC(=C4)O)OC)O)C
InChI
InChI=1S/C21H20O6/c1-21(2)5-4-11-6-12(7-15(23)20(11)27-21)14-10-26-17-9-13(22)8-16(25-3)18(17)19(14)24/h4-9,14,22-23H,10H2,1-3H3
InChIKey
OTJMSWBNEUNNEW-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)-5-methoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

368.12598 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 185.7
[M+Na]+ 391.11520 195.3
[M-H]- 367.11870 193.7
[M+NH4]+ 386.15980 198.5
[M+K]+ 407.08914 193.7
[M+H-H2O]+ 351.12324 177.3
[M+HCOO]- 413.12418 198.8
[M+CH3COO]- 427.13983 196.3
[M+Na-2H]- 389.10065 190.3
[M]+ 368.12543 189.2
[M]- 368.12653 189.2
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