PubChemLite - 7,3',4'-trihydroxy-5-methoxy-6-c-methylflavanone 7-o-glucoside (C23H26O11)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C2C(=C1OC)C(=O)CC(O2)C3=CC(=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C23H26O11/c1-9-14(33-23-21(30)20(29)19(28)17(8-24)34-23)7-16-18(22(9)31-2)13(27)6-15(32-16)10-3-4-11(25)12(26)5-10/h3-5,7,15,17,19-21,23-26,28-30H,6,8H2,1-2H3

InChIKey

DYRNKQIDEAXXHP-UHFFFAOYSA-N

Compound name

2-(3,4-dihydroxyphenyl)-5-methoxy-6-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-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]+	479.15480	211.3
[M+Na]+	501.13674	216.3
[M-H]-	477.14024	216.0
[M+NH4]+	496.18134	213.3
[M+K]+	517.11068	217.0
[M+H-H2O]+	461.14478	202.0
[M+HCOO]-	523.14572	216.6
[M+CH3COO]-	537.16137	233.2
[M+Na-2H]-	499.12219	208.1
[M]+	478.14697	213.2
[M]-	478.14807	213.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

479.15480

211.3

[M+Na]+

501.13674

216.3

[M-H]-

477.14024

216.0

[M+NH4]+

496.18134

213.3

[M+K]+

517.11068

217.0

[M+H-H2O]+

461.14478

202.0

[M+HCOO]-

523.14572

216.6

[M+CH3COO]-

537.16137

233.2

[M+Na-2H]-

499.12219

208.1

[M]+

478.14697

213.2

[M]-

478.14807

213.2

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

7,3',4'-trihydroxy-5-methoxy-6-c-methylflavanone 7-o-glucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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