CID 511187

1-[(2r,5s)-5-[[ethylamino(2,2,2-trichloroethoxy)phosphoryl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C14H19Cl3N3O6P
SMILES
CCNP(=O)(OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C14H19Cl3N3O6P/c1-3-18-27(23,25-8-14(15,16)17)24-7-10-4-5-11(26-10)20-6-9(2)12(21)19-13(20)22/h4-6,10-11H,3,7-8H2,1-2H3,(H,18,23)(H,19,21,22)/t10-,11+,27?/m0/s1
InChIKey
DYYLSUXWPHWBQM-WXVPALDMSA-N
Compound name
1-[(2R,5S)-5-[[ethylamino(2,2,2-trichloroethoxy)phosphoryl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.0077 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.01498 195.5
[M+Na]+ 483.99692 203.6
[M-H]- 460.00042 197.6
[M+NH4]+ 479.04152 203.4
[M+K]+ 499.97086 200.0
[M+H-H2O]+ 444.00496 187.1
[M+HCOO]- 506.00590 203.3
[M+CH3COO]- 520.02155 224.8
[M+Na-2H]- 481.98237 195.9
[M]+ 461.00715 203.3
[M]- 461.00825 203.3
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.