Trans-delta-viniferin 3'''-glucoside (C34H32O11)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)/C=C/C4=CC(=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC(=CC(=C6)O)O)O

InChI

InChI=1S/C34H32O11/c35-16-28-30(40)31(41)32(42)34(45-28)43-25-10-18(9-22(37)15-25)2-1-17-3-8-27-26(11-17)29(20-12-23(38)14-24(39)13-20)33(44-27)19-4-6-21(36)7-5-19/h1-15,28-42H,16H2/b2-1+

InChIKey

FICNVOULKMUCLH-OWOJBTEDSA-N

Compound name

2-[3-[(E)-2-[3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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]+	617.201736	244.0
[M+Na]+	639.183678	246.3
[M-H]-	615.187184	252.5
[M+NH4]+	634.228283	240.0
[M+K]+	655.157618	245.3
[M+H-H2O]+	599.191720	233.7
[M+HCOO]-	661.192661	247.0
[M+CH3COO]-	675.208311	246.7
[M+Na-2H]-	637.169126	261.1
[M]+	616.19391142	243.4
[M]-	616.19500858	243.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

617.201736

244.0

[M+Na]+

639.183678

246.3

[M-H]-

615.187184

252.5

[M+NH4]+

634.228283

240.0

[M+K]+

655.157618

245.3

[M+H-H2O]+

599.191720

233.7

[M+HCOO]-

661.192661

247.0

[M+CH3COO]-

675.208311

246.7

[M+Na-2H]-

637.169126

261.1

[M]+

616.19391142

243.4

[M]-

616.19500858

243.4

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

Trans-delta-viniferin 3'''-glucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe