PubChemLite - Ddu-5'-(meoala)(eto)po2 (C15H24N3O8P)

Structural Information

Molecular Formula

SMILES

CCOP(=O)(NC(C)C(=O)OC)OC[C@@H]1CC[C@@H](O1)N2C=CC(=O)NC2=O

InChI

InChI=1S/C15H24N3O8P/c1-4-24-27(22,17-10(2)14(20)23-3)25-9-11-5-6-13(26-11)18-8-7-12(19)16-15(18)21/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,17,22)(H,16,19,21)/t10?,11-,13+,27?/m0/s1

InChIKey

CFRYCARSGDWWBY-KFDVOMJTSA-N

Compound name

methyl 2-[[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]amino]propanoate

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]+	406.13738	187.1
[M+Na]+	428.11932	190.7
[M-H]-	404.12282	189.2
[M+NH4]+	423.16392	194.4
[M+K]+	444.09326	191.8
[M+H-H2O]+	388.12736	176.3
[M+HCOO]-	450.12830	208.5
[M+CH3COO]-	464.14395	220.3
[M+Na-2H]-	426.10477	185.7
[M]+	405.12955	192.0
[M]-	405.13065	192.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

406.13738

187.1

[M+Na]+

428.11932

190.7

[M-H]-

404.12282

189.2

[M+NH4]+

423.16392

194.4

[M+K]+

444.09326

191.8

[M+H-H2O]+

388.12736

176.3

[M+HCOO]-

450.12830

208.5

[M+CH3COO]-

464.14395

220.3

[M+Na-2H]-

426.10477

185.7

[M]+

405.12955

192.0

[M]-

405.13065

192.0

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

Ddu-5'-(meoala)(eto)po2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe