CID 42607601

Chalconaringenin 4-glucoside

Structural Information

Molecular Formula
C21H22O10
SMILES
C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-4-1-10(2-5-12)3-6-13(24)17-14(25)7-11(23)8-15(17)26/h1-8,16,18-23,25-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1
InChIKey
GAARAMNTPQAIOT-JSYAWONVSA-N
Compound name
(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1213 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.12858 198.1
[M+Na]+ 457.11052 202.1
[M-H]- 433.11402 199.7
[M+NH4]+ 452.15512 201.2
[M+K]+ 473.08446 200.0
[M+H-H2O]+ 417.11856 189.5
[M+HCOO]- 479.11950 206.3
[M+CH3COO]- 493.13515 218.2
[M+Na-2H]- 455.09597 194.1
[M]+ 434.12075 196.6
[M]- 434.12185 196.6
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.