CID 10759582

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

Structural Information

Molecular Formula
C20H20O5
SMILES
CC(C)(C=C)C1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C20H20O5/c1-4-20(2,3)18-14(23)10-16-17(19(18)24)13(22)9-15(25-16)11-5-7-12(21)8-6-11/h4-8,10,15,21,23-24H,1,9H2,2-3H3/t15-/m0/s1
InChIKey
GKOWEQNADRJYIA-HNNXBMFYSA-N
Compound name
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(2-methylbut-3-en-2-yl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

11
Patents

340.13107 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 179.3
[M+Na]+ 363.12029 187.3
[M-H]- 339.12379 184.2
[M+NH4]+ 358.16489 191.0
[M+K]+ 379.09423 183.4
[M+H-H2O]+ 323.12833 172.5
[M+HCOO]- 385.12927 192.7
[M+CH3COO]- 399.14492 208.6
[M+Na-2H]- 361.10574 182.0
[M]+ 340.13052 179.4
[M]- 340.13162 179.4
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