PubChemLite - Azt deriv (C15H19N5O8)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)OC[C@@H]3[C@@H](O3)CO)N=[N+]=[N-]

InChI

InChI=1S/C15H19N5O8/c1-7-3-20(14(23)17-13(7)22)12-2-8(18-19-16)10(28-12)5-25-15(24)26-6-11-9(4-21)27-11/h3,8-12,21H,2,4-6H2,1H3,(H,17,22,23)/t8-,9-,10+,11+,12+/m0/s1

InChIKey

FNRUEVJKFMBJCC-PREPNJAASA-N

Compound name

[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl carbonate

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]+	398.13063	188.3
[M+Na]+	420.11257	195.8
[M-H]-	396.11607	197.9
[M+NH4]+	415.15717	190.2
[M+K]+	436.08651	188.0
[M+H-H2O]+	380.12061	183.9
[M+HCOO]-	442.12155	209.6
[M+CH3COO]-	456.13720	218.9
[M+Na-2H]-	418.09802	193.0
[M]+	397.12280	193.2
[M]-	397.12390	193.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

398.13063

188.3

[M+Na]+

420.11257

195.8

[M-H]-

396.11607

197.9

[M+NH4]+

415.15717

190.2

[M+K]+

436.08651

188.0

[M+H-H2O]+

380.12061

183.9

[M+HCOO]-

442.12155

209.6

[M+CH3COO]-

456.13720

218.9

[M+Na-2H]-

418.09802

193.0

[M]+

397.12280

193.2

[M]-

397.12390

193.2

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

Azt deriv

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe