CID 10498462

(2s)-5,7,3',4'-tetrahydroxy-6-(1,1-dimethylallyl)flavanone

Structural Information

Molecular Formula
C20H20O6
SMILES
CC(C)(C=C)C1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C20H20O6/c1-4-20(2,3)18-14(24)9-16-17(19(18)25)13(23)8-15(26-16)10-5-6-11(21)12(22)7-10/h4-7,9,15,21-22,24-25H,1,8H2,2-3H3/t15-/m0/s1
InChIKey
BDPWAJXXQWRYNV-HNNXBMFYSA-N
Compound name
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(2-methylbut-3-en-2-yl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

356.12598 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 182.7
[M+Na]+ 379.11520 190.8
[M-H]- 355.11870 186.5
[M+NH4]+ 374.15980 193.1
[M+K]+ 395.08914 187.0
[M+H-H2O]+ 339.12324 176.1
[M+HCOO]- 401.12418 194.6
[M+CH3COO]- 415.13983 210.4
[M+Na-2H]- 377.10065 184.4
[M]+ 356.12543 182.9
[M]- 356.12653 182.9
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