CID 42608049

Kenusanone j

Structural Information

Molecular Formula
C20H20O6
SMILES
CC1(CCC2=C(O1)C=C(C3=C2O[C@@H](CC3=O)C4=C(C=C(C=C4)O)O)O)C
InChI
InChI=1S/C20H20O6/c1-20(2)6-5-12-17(26-20)9-15(24)18-14(23)8-16(25-19(12)18)11-4-3-10(21)7-13(11)22/h3-4,7,9,16,21-22,24H,5-6,8H2,1-2H3/t16-/m0/s1
InChIKey
ACVUCXHKACKHFE-INIZCTEOSA-N
Compound name
(2S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.12598 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 182.5
[M+Na]+ 379.11520 191.1
[M-H]- 355.11870 188.9
[M+NH4]+ 374.15980 195.0
[M+K]+ 395.08914 189.1
[M+H-H2O]+ 339.12324 174.8
[M+HCOO]- 401.12418 193.0
[M+CH3COO]- 415.13983 192.3
[M+Na-2H]- 377.10065 186.3
[M]+ 356.12543 182.7
[M]- 356.12653 182.7
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.