PubChemLite - 4,2'-dihydroxy-4',6'-dimethoxychalcone 4-glucoside (C23H26O10)

Structural Information

Molecular Formula

SMILES

COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O

InChI

InChI=1S/C23H26O10/c1-30-14-9-16(26)19(17(10-14)31-2)15(25)8-5-12-3-6-13(7-4-12)32-23-22(29)21(28)20(27)18(11-24)33-23/h3-10,18,20-24,26-29H,11H2,1-2H3/b8-5+

InChIKey

FKCAYXGPORSWCT-VMPITWQZSA-N

Compound name

(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	463.15988	205.6
[M+Na]+	485.14182	209.7
[M-H]-	461.14532	209.6
[M+NH4]+	480.18642	209.0
[M+K]+	501.11576	208.6
[M+H-H2O]+	445.14986	196.2
[M+HCOO]-	507.15080	216.2
[M+CH3COO]-	521.16645	227.3
[M+Na-2H]-	483.12727	201.6
[M]+	462.15205	208.1
[M]-	462.15315	208.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.15988

205.6

[M+Na]+

485.14182

209.7

[M-H]-

461.14532

209.6

[M+NH4]+

480.18642

209.0

[M+K]+

501.11576

208.6

[M+H-H2O]+

445.14986

196.2

[M+HCOO]-

507.15080

216.2

[M+CH3COO]-

521.16645

227.3

[M+Na-2H]-

483.12727

201.6

[M]+

462.15205

208.1

[M]-

462.15315

208.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

4,2'-dihydroxy-4',6'-dimethoxychalcone 4-glucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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