PubChemLite - Azt-cds (C17H20N6O5)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C3=CN(C=CC3)C)N=[N+]=[N-]

InChI

InChI=1S/C17H20N6O5/c1-10-7-23(17(26)19-15(10)24)14-6-12(20-21-18)13(28-14)9-27-16(25)11-4-3-5-22(2)8-11/h3,5,7-8,12-14H,4,6,9H2,1-2H3,(H,19,24,26)/t12-,13+,14+/m0/s1

InChIKey

XUUPZVLCORYPPM-BFHYXJOUSA-N

Compound name

[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-methyl-4H-pyridine-3-carboxylate

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]+	389.15678	190.7
[M+Na]+	411.13872	196.5
[M-H]-	387.14222	199.1
[M+NH4]+	406.18332	197.5
[M+K]+	427.11266	188.6
[M+H-H2O]+	371.14676	183.9
[M+HCOO]-	433.14770	212.2
[M+CH3COO]-	447.16335	219.3
[M+Na-2H]-	409.12417	194.5
[M]+	388.14895	188.8
[M]-	388.15005	188.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

389.15678

190.7

[M+Na]+

411.13872

196.5

[M-H]-

387.14222

199.1

[M+NH4]+

406.18332

197.5

[M+K]+

427.11266

188.6

[M+H-H2O]+

371.14676

183.9

[M+HCOO]-

433.14770

212.2

[M+CH3COO]-

447.16335

219.3

[M+Na-2H]-

409.12417

194.5

[M]+

388.14895

188.8

[M]-

388.15005

188.8

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

Azt-cds

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe