PubChemLite - 4',5,6-trimethylscutellarein 7-glucoside (C24H26O11)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)OC)OC

InChI

InChI=1S/C24H26O11/c1-30-12-6-4-11(5-7-12)14-8-13(26)18-15(33-14)9-16(22(31-2)23(18)32-3)34-24-21(29)20(28)19(27)17(10-25)35-24/h4-9,17,19-21,24-25,27-29H,10H2,1-3H3

InChIKey

GCAYMASOWMSYII-UHFFFAOYSA-N

Compound name

5,6-dimethoxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-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]+	491.15480	212.9
[M+Na]+	513.13674	219.4
[M-H]-	489.14024	220.5
[M+NH4]+	508.18134	215.6
[M+K]+	529.11068	220.9
[M+H-H2O]+	473.14478	202.3
[M+HCOO]-	535.14572	223.8
[M+CH3COO]-	549.16137	236.8
[M+Na-2H]-	511.12219	212.2
[M]+	490.14697	220.5
[M]-	490.14807	220.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.15480

212.9

[M+Na]+

513.13674

219.4

[M-H]-

489.14024

220.5

[M+NH4]+

508.18134

215.6

[M+K]+

529.11068

220.9

[M+H-H2O]+

473.14478

202.3

[M+HCOO]-

535.14572

223.8

[M+CH3COO]-

549.16137

236.8

[M+Na-2H]-

511.12219

212.2

[M]+

490.14697

220.5

[M]-

490.14807

220.5

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

4',5,6-trimethylscutellarein 7-glucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe