Flavone base + 3o, 1meo, c-hex (C22H22O11)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC(=C(C=C4)O)OC)O)O)O)O

InChI

InChI=1S/C22H22O11/c1-8-16(25)18(27)20(29)22(31-8)32-10-6-12(24)15-14(7-10)33-21(19(28)17(15)26)9-3-4-11(23)13(5-9)30-2/h3-8,16,18,20,22-25,27-29H,1-2H3

InChIKey

XLQFMBLUUSGXQY-UHFFFAOYSA-N

Compound name

3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-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]+	463.123476	206.2
[M+Na]+	485.105418	213.6
[M-H]-	461.108924	212.0
[M+NH4]+	480.150023	209.1
[M+K]+	501.079358	214.3
[M+H-H2O]+	445.113460	196.7
[M+HCOO]-	507.114401	214.7
[M+CH3COO]-	521.130051	229.6
[M+Na-2H]-	483.090866	205.0
[M]+	462.11565142	210.5
[M]-	462.11674858	210.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.123476

206.2

[M+Na]+

485.105418

213.6

[M-H]-

461.108924

212.0

[M+NH4]+

480.150023

209.1

[M+K]+

501.079358

214.3

[M+H-H2O]+

445.113460

196.7

[M+HCOO]-

507.114401

214.7

[M+CH3COO]-

521.130051

229.6

[M+Na-2H]-

483.090866

205.0

[M]+

462.11565142

210.5

[M]-

462.11674858

210.5

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

Flavone base + 3o, 1meo, c-hex

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe