PubChemLite - 9h-purin-6-amine, n-(aminohydroxyphosphinyl)-9-(2-c-methyl-.beta.-d-ribofuranosyl)- (C11H17N6O6P)

Structural Information

Molecular Formula

SMILES

C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NP(=O)(N)O)CO)O)O

InChI

InChI=1S/C11H17N6O6P/c1-11(20)7(19)5(2-18)23-10(11)17-4-15-6-8(16-24(12,21)22)13-3-14-9(6)17/h3-5,7,10,18-20H,2H2,1H3,(H4,12,13,14,16,21,22)/t5-,7-,10-,11-/m1/s1

InChIKey

FKFDVRXSTRAHFQ-YRKGHMEHSA-N

Compound name

amino-[[9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-6-yl]amino]phosphinic acid

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]+	361.10201	176.5
[M+Na]+	383.08395	183.8
[M-H]-	359.08745	175.0
[M+NH4]+	378.12855	185.8
[M+K]+	399.05789	182.6
[M+H-H2O]+	343.09199	167.5
[M+HCOO]-	405.09293	195.0
[M+CH3COO]-	419.10858	209.6
[M+Na-2H]-	381.06940	178.2
[M]+	360.09418	176.4
[M]-	360.09528	176.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

361.10201

176.5

[M+Na]+

383.08395

183.8

[M-H]-

359.08745

175.0

[M+NH4]+

378.12855

185.8

[M+K]+

399.05789

182.6

[M+H-H2O]+

343.09199

167.5

[M+HCOO]-

405.09293

195.0

[M+CH3COO]-

419.10858

209.6

[M+Na-2H]-

381.06940

178.2

[M]+

360.09418

176.4

[M]-

360.09528

176.4

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

9h-purin-6-amine, n-(aminohydroxyphosphinyl)-9-(2-c-methyl-.beta.-d-ribofuranosyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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