CID 131752198

2',4',6'-trihydroxydihydrochalcone 4'-glucoside

Structural Information

Molecular Formula
C21H24O9
SMILES
C1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)OC3C(C(C(C(O3)CO)O)O)O)O
InChI
InChI=1S/C21H24O9/c22-10-16-18(26)19(27)20(28)21(30-16)29-12-8-14(24)17(15(25)9-12)13(23)7-6-11-4-2-1-3-5-11/h1-5,8-9,16,18-22,24-28H,6-7,10H2
InChIKey
PDEJQNUGODFPTR-UHFFFAOYSA-N
Compound name
1-[2,6-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

420.14203 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.14931 196.0
[M+Na]+ 443.13125 199.6
[M-H]- 419.13475 198.5
[M+NH4]+ 438.17585 200.2
[M+K]+ 459.10519 197.6
[M+H-H2O]+ 403.13929 187.2
[M+HCOO]- 465.14023 205.4
[M+CH3COO]- 479.15588 216.8
[M+Na-2H]- 441.11670 192.8
[M]+ 420.14148 195.0
[M]- 420.14258 195.0
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.