Dihydrozeatin-7-n-glucose (C16H25N5O6)

Structural Information

Molecular Formula

SMILES

CC(CCNC1=NC=NC2=C1N(C=N2)[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO

InChI

InChI=1S/C16H25N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-23)27-16/h6-9,11-13,16,22-26H,2-5H2,1H3,(H,17,18,19)/t8?,9-,11-,12+,13-,16+/m1/s1

InChIKey

WSELIHNWDGFXRQ-CLORPHGJSA-N

Compound name

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[6-[(4-hydroxy-3-methylbutyl)amino]purin-7-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]+	384.187756	190.1
[M+Na]+	406.169698	195.9
[M-H]-	382.173204	187.5
[M+NH4]+	401.214303	194.5
[M+K]+	422.143638	192.3
[M+H-H2O]+	366.177740	181.2
[M+HCOO]-	428.178681	198.6
[M+CH3COO]-	442.194331	213.6
[M+Na-2H]-	404.155146	189.5
[M]+	383.17993142	190.0
[M]-	383.18102858	190.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

384.187756

190.1

[M+Na]+

406.169698

195.9

[M-H]-

382.173204

187.5

[M+NH4]+

401.214303

194.5

[M+K]+

422.143638

192.3

[M+H-H2O]+

366.177740

181.2

[M+HCOO]-

428.178681

198.6

[M+CH3COO]-

442.194331

213.6

[M+Na-2H]-

404.155146

189.5

[M]+

383.17993142

190.0

[M]-

383.18102858

190.0

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

Dihydrozeatin-7-n-glucose

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe