PubChemLite - Trans-zeatin-o-glucoside riboside (C21H31N5O10)

Structural Information

Molecular Formula

SMILES

C/C(=C\CNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)/COC4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C21H31N5O10/c1-9(6-34-21-17(33)15(31)13(29)11(5-28)36-21)2-3-22-18-12-19(24-7-23-18)26(8-25-12)20-16(32)14(30)10(4-27)35-20/h2,7-8,10-11,13-17,20-21,27-33H,3-6H2,1H3,(H,22,23,24)/b9-2+

InChIKey

MVMBTNNVZQRZQT-XNWCZRBMSA-N

Compound name

2-[(E)-4-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-2-methylbut-2-enoxy]-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]+	514.21438	216.3
[M+Na]+	536.19632	218.2
[M-H]-	512.19982	206.5
[M+NH4]+	531.24092	215.2
[M+K]+	552.17026	219.1
[M+H-H2O]+	496.20436	202.9
[M+HCOO]-	558.20530	217.3
[M+CH3COO]-	572.22095	236.2
[M+Na-2H]-	534.18177	220.7
[M]+	513.20655	219.7
[M]-	513.20765	219.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

514.21438

216.3

[M+Na]+

536.19632

218.2

[M-H]-

512.19982

206.5

[M+NH4]+

531.24092

215.2

[M+K]+

552.17026

219.1

[M+H-H2O]+

496.20436

202.9

[M+HCOO]-

558.20530

217.3

[M+CH3COO]-

572.22095

236.2

[M+Na-2H]-

534.18177

220.7

[M]+

513.20655

219.7

[M]-

513.20765

219.7

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

Trans-zeatin-o-glucoside riboside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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