CID 6482587

4-amino-1-[(3r,5s)-3-(diethoxyphosphorylmethyl)-2-methyl-isoxazolidin-5-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C13H23N4O5P
SMILES
CCOP(=O)(C[C@H]1C[C@H](ON1C)N2C=CC(=NC2=O)N)OCC
InChI
InChI=1S/C13H23N4O5P/c1-4-20-23(19,21-5-2)9-10-8-12(22-16(10)3)17-7-6-11(14)15-13(17)18/h6-7,10,12H,4-5,8-9H2,1-3H3,(H2,14,15,18)/t10-,12+/m1/s1
InChIKey
YTAFTKJHPRMYBB-PWSUYJOCSA-N
Compound name
4-amino-1-[(3R,5S)-3-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidin-5-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1406 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14788 180.3
[M+Na]+ 369.12982 186.9
[M-H]- 345.13332 182.3
[M+NH4]+ 364.17442 189.9
[M+K]+ 385.10376 186.5
[M+H-H2O]+ 329.13786 169.0
[M+HCOO]- 391.13880 202.9
[M+CH3COO]- 405.15445 213.6
[M+Na-2H]- 367.11527 179.2
[M]+ 346.14005 184.6
[M]- 346.14115 184.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.