PubChemLite - Oxanosine-5'-monophosphate (C10H13N4O9P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C10H13N4O9P/c11-10-13-7-4(9(17)23-10)12-2-14(7)8-6(16)5(15)3(22-8)1-21-24(18,19)20/h2-3,5-6,8,15-16H,1H2,(H2,11,13)(H2,18,19,20)/t3-,5-,6-,8-/m1/s1

InChIKey

FUZZUJLIYORYBU-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 dihydrogen phosphate

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]+	365.04930	174.2
[M+Na]+	387.03124	182.1
[M-H]-	363.03474	174.6
[M+NH4]+	382.07584	181.5
[M+K]+	403.00518	183.1
[M+H-H2O]+	347.03928	165.6
[M+HCOO]-	409.04022	192.8
[M+CH3COO]-	423.05587	207.4
[M+Na-2H]-	385.01669	174.7
[M]+	364.04147	177.8
[M]-	364.04257	177.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

365.04930

174.2

[M+Na]+

387.03124

182.1

[M-H]-

363.03474

174.6

[M+NH4]+

382.07584

181.5

[M+K]+

403.00518

183.1

[M+H-H2O]+

347.03928

165.6

[M+HCOO]-

409.04022

192.8

[M+CH3COO]-

423.05587

207.4

[M+Na-2H]-

385.01669

174.7

[M]+

364.04147

177.8

[M]-

364.04257

177.8

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

Oxanosine-5'-monophosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe