CID 23144947

4'-hydroxychalcone 4'-glucoside

Structural Information

Molecular Formula
C21H22O7
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C21H22O7/c22-12-17-18(24)19(25)20(26)21(28-17)27-15-9-7-14(8-10-15)16(23)11-6-13-4-2-1-3-5-13/h1-11,17-22,24-26H,12H2/b11-6+
InChIKey
OWEQIVOUCFSICJ-IZZDOVSWSA-N
Compound name
(E)-3-phenyl-1-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.13657 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14385 189.7
[M+Na]+ 409.12579 193.6
[M-H]- 385.12929 194.4
[M+NH4]+ 404.17039 196.5
[M+K]+ 425.09973 190.4
[M+H-H2O]+ 369.13383 180.9
[M+HCOO]- 431.13477 202.3
[M+CH3COO]- 445.15042 211.4
[M+Na-2H]- 407.11124 188.3
[M]+ 386.13602 187.6
[M]- 386.13712 187.6
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.