CID 6482588

1-[(3r,5s)-3-(diethoxyphosphorylmethyl)-2-methyl-isoxazolidin-5-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C14H24N3O6P
SMILES
CCOP(=O)(C[C@H]1C[C@H](ON1C)N2C=C(C(=O)NC2=O)C)OCC
InChI
InChI=1S/C14H24N3O6P/c1-5-21-24(20,22-6-2)9-11-7-12(23-16(11)4)17-8-10(3)13(18)15-14(17)19/h8,11-12H,5-7,9H2,1-4H3,(H,15,18,19)/t11-,12+/m1/s1
InChIKey
MVAZAYVUDUJZAB-NEPJUHHUSA-N
Compound name
1-[(3R,5S)-3-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.14026 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14754 182.4
[M+Na]+ 384.12948 190.1
[M-H]- 360.13298 183.8
[M+NH4]+ 379.17408 191.5
[M+K]+ 400.10342 189.0
[M+H-H2O]+ 344.13752 171.8
[M+HCOO]- 406.13846 203.1
[M+CH3COO]- 420.15411 212.4
[M+Na-2H]- 382.11493 180.5
[M]+ 361.13971 188.2
[M]- 361.14081 188.2
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.