Isorhamnetin 3-rhamnosyl-(1->2)-rhamnoside (C28H32O15)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)C)O)O)O)O)O

InChI

InChI=1S/C28H32O15/c1-9-18(32)21(35)23(37)27(39-9)43-26-22(36)19(33)10(2)40-28(26)42-25-20(34)17-14(31)7-12(29)8-16(17)41-24(25)11-4-5-13(30)15(6-11)38-3/h4-10,18-19,21-23,26-33,35-37H,1-3H3

InChIKey

FZQRUXCCSWOZFJ-UHFFFAOYSA-N

Compound name

3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-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]+	609.181406	238.5
[M+Na]+	631.163348	242.8
[M-H]-	607.166854	234.5
[M+NH4]+	626.207953	240.1
[M+K]+	647.137288	237.7
[M+H-H2O]+	591.171390	231.6
[M+HCOO]-	653.172331	242.0
[M+CH3COO]-	667.187981	246.0
[M+Na-2H]-	629.148796	262.1
[M]+	608.17358142	248.7
[M]-	608.17467858	248.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

609.181406

238.5

[M+Na]+

631.163348

242.8

[M-H]-

607.166854

234.5

[M+NH4]+

626.207953

240.1

[M+K]+

647.137288

237.7

[M+H-H2O]+

591.171390

231.6

[M+HCOO]-

653.172331

242.0

[M+CH3COO]-

667.187981

246.0

[M+Na-2H]-

629.148796

262.1

[M]+

608.17358142

248.7

[M]-

608.17467858

248.7

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

Isorhamnetin 3-rhamnosyl-(1->2)-rhamnoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe