CID 10664858

5,4,-dihydroxy-4'',4''-dimethyl-5''-[2'',3'':7,6]methyldihydrofuranoflavanone

Structural Information

Molecular Formula
C20H20O5
SMILES
CC1C(C2=C(O1)C=C3C(=C2O)C(=O)C[C@H](O3)C4=CC=C(C=C4)O)(C)C
InChI
InChI=1S/C20H20O5/c1-10-20(2,3)18-16(24-10)9-15-17(19(18)23)13(22)8-14(25-15)11-4-6-12(21)7-5-11/h4-7,9-10,14,21,23H,8H2,1-3H3/t10?,14-/m0/s1
InChIKey
MNHSEANWZYLOHY-SBNLOKMTSA-N
Compound name
(7S)-4-hydroxy-7-(4-hydroxyphenyl)-2,3,3-trimethyl-6,7-dihydro-2H-furo[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13107 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 178.2
[M+Na]+ 363.12029 188.4
[M-H]- 339.12379 186.5
[M+NH4]+ 358.16489 194.3
[M+K]+ 379.09423 185.7
[M+H-H2O]+ 323.12833 172.4
[M+HCOO]- 385.12927 192.4
[M+CH3COO]- 399.14492 189.8
[M+Na-2H]- 361.10574 180.6
[M]+ 340.13052 180.8
[M]- 340.13162 180.8
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.