CID 480800

Glycyrdione c

Structural Information

Molecular Formula
C25H26O5
SMILES
CC(=CCC1=C(C=CC(=C1)C(=O)CC(=O)C2=C(C=C3C(=C2)C=CC(O3)(C)C)O)O)C
InChI
InChI=1S/C25H26O5/c1-15(2)5-6-16-11-17(7-8-20(16)26)21(27)13-22(28)19-12-18-9-10-25(3,4)30-24(18)14-23(19)29/h5,7-12,14,26,29H,6,13H2,1-4H3
InChIKey
VXOZFACLCCVUMV-UHFFFAOYSA-N
Compound name
1-(7-hydroxy-2,2-dimethylchromen-6-yl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

406.178 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18528 198.5
[M+Na]+ 429.16722 204.8
[M-H]- 405.17072 203.9
[M+NH4]+ 424.21182 209.5
[M+K]+ 445.14116 201.4
[M+H-H2O]+ 389.17526 190.8
[M+HCOO]- 451.17620 211.8
[M+CH3COO]- 465.19185 224.3
[M+Na-2H]- 427.15267 197.2
[M]+ 406.17745 201.2
[M]- 406.17855 201.2
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