PubChemLite - Trans-zeatin-9-n-glucoside (C16H23N5O6)

Structural Information

Molecular Formula

SMILES

C/C(=C\CNC1=C2C(=NC=N1)N(C=N2)[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/CO

InChI

InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2+/t9-,11-,12+,13-,16+/m1/s1

InChIKey

VYRAJOITMBSQSE-GIHYWFGSSA-N

Compound name

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]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]+	382.17211	190.0
[M+Na]+	404.15405	196.2
[M-H]-	380.15755	187.5
[M+NH4]+	399.19865	194.4
[M+K]+	420.12799	192.0
[M+H-H2O]+	364.16209	181.1
[M+HCOO]-	426.16303	198.7
[M+CH3COO]-	440.17868	212.4
[M+Na-2H]-	402.13950	189.3
[M]+	381.16428	189.1
[M]-	381.16538	189.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

382.17211

190.0

[M+Na]+

404.15405

196.2

[M-H]-

380.15755

187.5

[M+NH4]+

399.19865

194.4

[M+K]+

420.12799

192.0

[M+H-H2O]+

364.16209

181.1

[M+HCOO]-

426.16303

198.7

[M+CH3COO]-

440.17868

212.4

[M+Na-2H]-

402.13950

189.3

[M]+

381.16428

189.1

[M]-

381.16538

189.1

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

Trans-zeatin-9-n-glucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe