CID 10498463

Monotesone a

Structural Information

Molecular Formula
C20H20O6
SMILES
CC(=CCOC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O)C
InChI
InChI=1S/C20H20O6/c1-11(2)5-6-25-17-4-3-12(7-14(17)22)18-10-16(24)20-15(23)8-13(21)9-19(20)26-18/h3-5,7-9,18,21-23H,6,10H2,1-2H3/t18-/m0/s1
InChIKey
UIFXCAYUHZVWHR-SFHVURJKSA-N
Compound name
(2S)-5,7-dihydroxy-2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.12598 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 182.3
[M+Na]+ 379.11520 189.4
[M-H]- 355.11870 187.0
[M+NH4]+ 374.15980 193.1
[M+K]+ 395.08914 186.2
[M+H-H2O]+ 339.12324 174.7
[M+HCOO]- 401.12418 196.4
[M+CH3COO]- 415.13983 210.8
[M+Na-2H]- 377.10065 182.8
[M]+ 356.12543 183.6
[M]- 356.12653 183.6
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

No patent data available for this compound.