PubChemLite - Zidovudine impurity g (C20H25N7O8)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3C(=O)C(=CN(C3=O)[C@H]4C[C@@H]([C@H](O4)CO)N=[N+]=[N-])C

InChI

InChI=1S/C20H25N7O8/c1-9-5-25(19(32)22-17(9)30)16-4-12(14(8-29)35-16)27-18(31)10(2)6-26(20(27)33)15-3-11(23-24-21)13(7-28)34-15/h5-6,11-16,28-29H,3-4,7-8H2,1-2H3,(H,22,30,32)/t11-,12-,13+,14+,15+,16+/m0/s1

InChIKey

FOSHPJRCRHGLRP-KPRKPIBOSA-N

Compound name

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

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]+	492.18373	217.5
[M+Na]+	514.16567	224.0
[M-H]-	490.16917	227.6
[M+NH4]+	509.21027	218.1
[M+K]+	530.13961	215.7
[M+H-H2O]+	474.17371	211.5
[M+HCOO]-	536.17465	234.2
[M+CH3COO]-	550.19030	237.3
[M+Na-2H]-	512.15112	217.0
[M]+	491.17590	216.9
[M]-	491.17700	216.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

492.18373

217.5

[M+Na]+

514.16567

224.0

[M-H]-

490.16917

227.6

[M+NH4]+

509.21027

218.1

[M+K]+

530.13961

215.7

[M+H-H2O]+

474.17371

211.5

[M+HCOO]-

536.17465

234.2

[M+CH3COO]-

550.19030

237.3

[M+Na-2H]-

512.15112

217.0

[M]+

491.17590

216.9

[M]-

491.17700

216.9

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

Zidovudine impurity g

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe