PubChemLite - Fozivudine tidoxil (C35H64N5O8PS)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCSCC(COP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OCCCCCCCCCC

InChI

InChI=1S/C35H64N5O8PS/c1-4-6-8-10-12-14-15-17-19-21-23-50-28-30(45-22-20-18-16-13-11-9-7-5-2)26-46-49(43,44)47-27-32-31(38-39-36)24-33(48-32)40-25-29(3)34(41)37-35(40)42/h25,30-33H,4-24,26-28H2,1-3H3,(H,43,44)(H,37,41,42)/t30?,31-,32+,33+/m0/s1

InChIKey

IBHARWXWOCPXCR-WELGVCPWSA-N

Compound name

[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-decoxy-3-dodecylsulfanylpropyl) hydrogen phosphate

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]+	746.42858	287.4
[M+Na]+	768.41052	298.1
[M-H]-	744.41402	284.7
[M+NH4]+	763.45512	294.0
[M+K]+	784.38446	291.6
[M+H-H2O]+	728.41856	273.6
[M+HCOO]-	790.41950	308.1
[M+CH3COO]-	804.43515	285.0
[M+Na-2H]-	766.39597	267.0
[M]+	745.42075	280.4
[M]-	745.42185	280.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

746.42858

287.4

[M+Na]+

768.41052

298.1

[M-H]-

744.41402

284.7

[M+NH4]+

763.45512

294.0

[M+K]+

784.38446

291.6

[M+H-H2O]+

728.41856

273.6

[M+HCOO]-

790.41950

308.1

[M+CH3COO]-

804.43515

285.0

[M+Na-2H]-

766.39597

267.0

[M]+

745.42075

280.4

[M]-

745.42185

280.4

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

Fozivudine tidoxil

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe