Vitexin-4'-rhamnoside(rg) (C27H30O14)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OC2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C(=C(C=C4O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O

InChI

InChI=1S/C27H30O14/c1-9-19(32)21(34)24(37)27(38-9)39-11-4-2-10(3-5-11)15-7-14(31)17-12(29)6-13(30)18(25(17)40-15)26-23(36)22(35)20(33)16(8-28)41-26/h2-7,9,16,19-24,26-30,32-37H,8H2,1H3

InChIKey

ZIIBNXKQZAUBRD-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]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]+	579.170876	232.0
[M+Na]+	601.152818	236.2
[M-H]-	577.156324	227.4
[M+NH4]+	596.197423	233.5
[M+K]+	617.126758	232.3
[M+H-H2O]+	561.160860	224.5
[M+HCOO]-	623.161801	235.5
[M+CH3COO]-	637.177451	239.6
[M+Na-2H]-	599.138266	255.4
[M]+	578.16305142	242.2
[M]-	578.16414858	242.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

579.170876

232.0

[M+Na]+

601.152818

236.2

[M-H]-

577.156324

227.4

[M+NH4]+

596.197423

233.5

[M+K]+

617.126758

232.3

[M+H-H2O]+

561.160860

224.5

[M+HCOO]-

623.161801

235.5

[M+CH3COO]-

637.177451

239.6

[M+Na-2H]-

599.138266

255.4

[M]+

578.16305142

242.2

[M]-

578.16414858

242.2

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

Vitexin-4'-rhamnoside(rg)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe