PubChemLite - Flavone base + 3o, o-acetylhex (C23H22O11)

Structural Information

Molecular Formula

SMILES

CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O

InChI

InChI=1S/C23H22O11/c1-10(24)31-9-18-20(28)21(29)22(30)23(34-18)32-13-6-14(26)19-15(27)8-16(33-17(19)7-13)11-2-4-12(25)5-3-11/h2-8,18,20-23,25-26,28-30H,9H2,1H3

InChIKey

LYFXRHUNCZZUTQ-UHFFFAOYSA-N

Compound name

[3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate

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]+	475.12348	206.8
[M+Na]+	497.10542	212.6
[M-H]-	473.10892	213.1
[M+NH4]+	492.15002	209.2
[M+K]+	513.07936	213.6
[M+H-H2O]+	457.11346	197.0
[M+HCOO]-	519.11440	215.9
[M+CH3COO]-	533.13005	230.8
[M+Na-2H]-	495.09087	206.0
[M]+	474.11565	210.8
[M]-	474.11675	210.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.12348

206.8

[M+Na]+

497.10542

212.6

[M-H]-

473.10892

213.1

[M+NH4]+

492.15002

209.2

[M+K]+

513.07936

213.6

[M+H-H2O]+

457.11346

197.0

[M+HCOO]-

519.11440

215.9

[M+CH3COO]-

533.13005

230.8

[M+Na-2H]-

495.09087

206.0

[M]+

474.11565

210.8

[M]-

474.11675

210.8

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

Flavone base + 3o, o-acetylhex

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe