CID 15742119

Glycyrdione b

Structural Information

Molecular Formula
C25H26O5
SMILES
CC(=CCC1=CC(=C(C=C1O)O)C(=O)CC(=O)C2=CC3=C(C=C2)OC(C=C3)(C)C)C
InChI
InChI=1S/C25H26O5/c1-15(2)5-6-17-12-19(23(29)14-21(17)27)22(28)13-20(26)16-7-8-24-18(11-16)9-10-25(3,4)30-24/h5,7-12,14,27,29H,6,13H2,1-4H3
InChIKey
XTBSNHSJEVANCR-UHFFFAOYSA-N
Compound name
1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-(2,2-dimethylchromen-6-yl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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