PubChemLite - [[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-(2,2-dimethylpropoxy)phosphoryl]formamide (C16H25N6O7P)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C(=O)N)OCC(C)(C)C)N=[N+]=[N-]

InChI

InChI=1S/C16H25N6O7P/c1-9-6-22(15(25)19-13(9)23)12-5-10(20-21-18)11(29-12)7-27-30(26,14(17)24)28-8-16(2,3)4/h6,10-12H,5,7-8H2,1-4H3,(H2,17,24)(H,19,23,25)/t10-,11+,12+,30?/m0/s1

InChIKey

OLBFEEAIZGYYJK-RNINEVKISA-N

Compound name

[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2-dimethylpropoxy)phosphoryl]formamide

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]+	445.15950	196.9
[M+Na]+	467.14144	200.4
[M-H]-	443.14494	202.2
[M+NH4]+	462.18604	203.0
[M+K]+	483.11538	195.8
[M+H-H2O]+	427.14948	190.5
[M+HCOO]-	489.15042	223.0
[M+CH3COO]-	503.16607	231.1
[M+Na-2H]-	465.12689	203.0
[M]+	444.15167	197.4
[M]-	444.15277	197.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

445.15950

196.9

[M+Na]+

467.14144

200.4

[M-H]-

443.14494

202.2

[M+NH4]+

462.18604

203.0

[M+K]+

483.11538

195.8

[M+H-H2O]+

427.14948

190.5

[M+HCOO]-

489.15042

223.0

[M+CH3COO]-

503.16607

231.1

[M+Na-2H]-

465.12689

203.0

[M]+

444.15167

197.4

[M]-

444.15277

197.4

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

[[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-(2,2-dimethylpropoxy)phosphoryl]formamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe