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]+ 421.149306 196.0
[M+Na]+ 443.131248 199.6
[M-H]- 419.134754 198.5
[M+NH4]+ 438.175853 200.2
[M+K]+ 459.105188 197.6
[M+H-H2O]+ 403.139290 187.2
[M+HCOO]- 465.140231 205.4
[M+CH3COO]- 479.155881 216.8
[M+Na-2H]- 441.116696 192.8
[M]+ 420.14148142 195.0
[M]- 420.14257858 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.