PubChemLite - 328553-50-0 (C10H16N4O6)

Structural Information

Molecular Formula

SMILES

COC1=NC(=C(C(=O)N1)N[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)N

InChI

InChI=1S/C10H16N4O6/c1-19-10-13-7(11)4(8(18)14-10)12-9-6(17)5(16)3(15)2-20-9/h3,5-6,9,12,15-17H,2H2,1H3,(H3,11,13,14,18)/t3-,5+,6-,9-/m1/s1

InChIKey

OSLRALKVSYSKCT-FTWQFJAYSA-N

Compound name

4-amino-2-methoxy-5-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]-1H-pyrimidin-6-one

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]+	289.11428	164.8
[M+Na]+	311.09622	171.7
[M-H]-	287.09972	164.7
[M+NH4]+	306.14082	173.1
[M+K]+	327.07016	169.3
[M+H-H2O]+	271.10426	156.4
[M+HCOO]-	333.10520	179.1
[M+CH3COO]-	347.12085	198.3
[M+Na-2H]-	309.08167	166.5
[M]+	288.10645	160.6
[M]-	288.10755	160.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

289.11428

164.8

[M+Na]+

311.09622

171.7

[M-H]-

287.09972

164.7

[M+NH4]+

306.14082

173.1

[M+K]+

327.07016

169.3

[M+H-H2O]+

271.10426

156.4

[M+HCOO]-

333.10520

179.1

[M+CH3COO]-

347.12085

198.3

[M+Na-2H]-

309.08167

166.5

[M]+

288.10645

160.6

[M]-

288.10755

160.6

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

328553-50-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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