PubChemLite - Isorhamnetin7-o-alpha-l-rhamnoside (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]+	463.12348	206.2
[M+Na]+	485.10542	213.6
[M-H]-	461.10892	212.0
[M+NH4]+	480.15002	209.1
[M+K]+	501.07936	214.3
[M+H-H2O]+	445.11346	196.7
[M+HCOO]-	507.11440	214.7
[M+CH3COO]-	521.13005	229.6
[M+Na-2H]-	483.09087	205.0
[M]+	462.11565	210.5
[M]-	462.11675	210.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.12348

206.2

[M+Na]+

485.10542

213.6

[M-H]-

461.10892

212.0

[M+NH4]+

480.15002

209.1

[M+K]+

501.07936

214.3

[M+H-H2O]+

445.11346

196.7

[M+HCOO]-

507.11440

214.7

[M+CH3COO]-

521.13005

229.6

[M+Na-2H]-

483.09087

205.0

[M]+

462.11565

210.5

[M]-

462.11675

210.5

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

Isorhamnetin7-o-alpha-l-rhamnoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe