PubChemLite - Oxanosine-5'-sulfonamide (C10H13N5O8S)

Structural Information

Molecular Formula

SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)N=C(OC2=O)N

InChI

InChI=1S/C10H13N5O8S/c11-10-14-7-4(9(18)23-10)13-2-15(7)8-6(17)5(16)3(22-8)1-21-24(12,19)20/h2-3,5-6,8,16-17H,1H2,(H2,11,14)(H2,12,19,20)/t3-,5-,6-,8-/m1/s1

InChIKey

ANSBLWVHHBASFU-ZIYNGMLESA-N

Compound name

[(2R,3S,4R,5R)-5-(5-amino-7-oxoimidazo[4,5-d][1,3]oxazin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate

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]+	364.05578	174.7
[M+Na]+	386.03772	184.9
[M-H]-	362.04122	178.7
[M+NH4]+	381.08232	183.5
[M+K]+	402.01166	184.2
[M+H-H2O]+	346.04576	169.3
[M+HCOO]-	408.04670	187.7
[M+CH3COO]-	422.06235	210.2
[M+Na-2H]-	384.02317	177.1
[M]+	363.04795	180.6
[M]-	363.04905	180.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

364.05578

174.7

[M+Na]+

386.03772

184.9

[M-H]-

362.04122

178.7

[M+NH4]+

381.08232

183.5

[M+K]+

402.01166

184.2

[M+H-H2O]+

346.04576

169.3

[M+HCOO]-

408.04670

187.7

[M+CH3COO]-

422.06235

210.2

[M+Na-2H]-

384.02317

177.1

[M]+

363.04795

180.6

[M]-

363.04905

180.6

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

Oxanosine-5'-sulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe