PubChemLite - Homoeriodictyolchalcone 2'-glucoside (C22H24O11)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O

InChI

InChI=1S/C22H24O11/c1-31-15-6-10(2-4-12(15)25)3-5-13(26)18-14(27)7-11(24)8-16(18)32-22-21(30)20(29)19(28)17(9-23)33-22/h2-8,17,19-25,27-30H,9H2,1H3/b5-3+

InChIKey

WYBQXABYXWDZIL-HWKANZROSA-N

Compound name

(E)-1-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxy-3-methoxyphenyl)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]+	465.13915	204.5
[M+Na]+	487.12109	208.5
[M-H]-	463.12459	206.3
[M+NH4]+	482.16569	206.5
[M+K]+	503.09503	207.4
[M+H-H2O]+	447.12913	195.6
[M+HCOO]-	509.13007	212.4
[M+CH3COO]-	523.14572	225.4
[M+Na-2H]-	485.10654	199.7
[M]+	464.13132	205.2
[M]-	464.13242	205.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.13915

204.5

[M+Na]+

487.12109

208.5

[M-H]-

463.12459

206.3

[M+NH4]+

482.16569

206.5

[M+K]+

503.09503

207.4

[M+H-H2O]+

447.12913

195.6

[M+HCOO]-

509.13007

212.4

[M+CH3COO]-

523.14572

225.4

[M+Na-2H]-

485.10654

199.7

[M]+

464.13132

205.2

[M]-

464.13242

205.2

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

Homoeriodictyolchalcone 2'-glucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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