CID 6476087

(e)-3-(4-hydroxyphenyl)-1-(3,5,7-trihydroxy-2,2-dimethyl-chroman-8-yl)prop-2-en-1-one

Structural Information

Molecular Formula
C20H20O6
SMILES
CC1(C(CC2=C(O1)C(=C(C=C2O)O)C(=O)/C=C/C3=CC=C(C=C3)O)O)C
InChI
InChI=1S/C20H20O6/c1-20(2)17(25)9-13-15(23)10-16(24)18(19(13)26-20)14(22)8-5-11-3-6-12(21)7-4-11/h3-8,10,17,21,23-25H,9H2,1-2H3/b8-5+
InChIKey
LWNWTHXMLBADRG-VMPITWQZSA-N
Compound name
(E)-3-(4-hydroxyphenyl)-1-(3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.12598 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 182.7
[M+Na]+ 379.11520 190.5
[M-H]- 355.11870 186.3
[M+NH4]+ 374.15980 194.8
[M+K]+ 395.08914 186.8
[M+H-H2O]+ 339.12324 176.0
[M+HCOO]- 401.12418 195.2
[M+CH3COO]- 415.13983 208.3
[M+Na-2H]- 377.10065 184.1
[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

literature stripe

Patent stripe

No patent data available for this compound.