PubChemLite - Azt-5'-opo2h(cooh) (C11H14N5O8P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C11H14N5O8P/c1-5-3-16(10(18)13-9(5)17)8-2-6(14-15-12)7(24-8)4-23-25(21,22)11(19)20/h3,6-8H,2,4H2,1H3,(H,19,20)(H,21,22)(H,13,17,18)/t6-,7+,8+/m0/s1

InChIKey

HFJWDSVEAZPVON-XLPZGREQSA-N

Compound name

[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]formic acid

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]+	376.06528	173.0
[M+Na]+	398.04722	178.1
[M-H]-	374.05072	176.5
[M+NH4]+	393.09182	180.8
[M+K]+	414.02116	173.1
[M+H-H2O]+	358.05526	167.2
[M+HCOO]-	420.05620	199.2
[M+CH3COO]-	434.07185	209.7
[M+Na-2H]-	396.03267	179.1
[M]+	375.05745	172.0
[M]-	375.05855	172.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

376.06528

173.0

[M+Na]+

398.04722

178.1

[M-H]-

374.05072

176.5

[M+NH4]+

393.09182

180.8

[M+K]+

414.02116

173.1

[M+H-H2O]+

358.05526

167.2

[M+HCOO]-

420.05620

199.2

[M+CH3COO]-

434.07185

209.7

[M+Na-2H]-

396.03267

179.1

[M]+

375.05745

172.0

[M]-

375.05855

172.0

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

Azt-5'-opo2h(cooh)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe