CID 10595178

Glycyrrhizaisoflavone c

Structural Information

Molecular Formula
C21H20O6
SMILES
CC1(CCC2=C(O1)C=C(C(=C2OC)C3=COC4=C(C3=O)C=CC(=C4)O)O)C
InChI
InChI=1S/C21H20O6/c1-21(2)7-6-13-17(27-21)9-15(23)18(20(13)25-3)14-10-26-16-8-11(22)4-5-12(16)19(14)24/h4-5,8-10,22-23H,6-7H2,1-3H3
InChIKey
IEJGJZLXEWWZHI-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

368.12598 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 184.2
[M+Na]+ 391.11520 200.3
[M+NH4]+ 386.15980 192.9
[M+K]+ 407.08914 192.1
[M-H]- 367.11870 191.1
[M+Na-2H]- 389.10065 190.1
[M]+ 368.12543 188.8
[M]- 368.12653 188.8
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.