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]+ 369.133256 185.5
[M+Na]+ 391.115198 196.0
[M-H]- 367.118704 193.9
[M+NH4]+ 386.159803 198.3
[M+K]+ 407.089138 194.4
[M+H-H2O]+ 351.123240 176.9
[M+HCOO]- 413.124181 200.0
[M+CH3COO]- 427.139831 196.5
[M+Na-2H]- 389.100646 190.8
[M]+ 368.12543142 190.3
[M]- 368.12652858 190.3
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.