Luteolin-4'-o-glucoside (C21H20O11)

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2

InChIKey

UHNXUSWGOJMEFO-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-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]+	449.107836	201.2
[M+Na]+	471.089778	207.8
[M-H]-	447.093284	205.5
[M+NH4]+	466.134383	203.7
[M+K]+	487.063718	207.7
[M+H-H2O]+	431.097820	191.9
[M+HCOO]-	493.098761	208.7
[M+CH3COO]-	507.114411	223.6
[M+Na-2H]-	469.075226	200.8
[M]+	448.10001142	203.1
[M]-	448.10110858	203.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

449.107836

201.2

[M+Na]+

471.089778

207.8

[M-H]-

447.093284

205.5

[M+NH4]+

466.134383

203.7

[M+K]+

487.063718

207.7

[M+H-H2O]+

431.097820

191.9

[M+HCOO]-

493.098761

208.7

[M+CH3COO]-

507.114411

223.6

[M+Na-2H]-

469.075226

200.8

[M]+

448.10001142

203.1

[M]-

448.10110858

203.1

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

Luteolin-4'-o-glucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe