CID 511188

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

Structural Information

Molecular Formula
C15H21Cl3N3O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(NCCOC)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C15H21Cl3N3O7P/c1-10-7-21(14(23)20-13(10)22)12-4-3-11(28-12)8-26-29(24,19-5-6-25-2)27-9-15(16,17)18/h3-4,7,11-12H,5-6,8-9H2,1-2H3,(H,19,24)(H,20,22,23)/t11-,12+,29?/m0/s1
InChIKey
UOERTGPKHLAVNK-ZTRAIXJASA-N
Compound name
1-[(2R,5S)-5-[[(2-methoxyethylamino)-(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

491.01828 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.02556 200.3
[M+Na]+ 514.00750 207.7
[M-H]- 490.01100 202.4
[M+NH4]+ 509.05210 207.0
[M+K]+ 529.98144 204.7
[M+H-H2O]+ 474.01554 191.7
[M+HCOO]- 536.01648 208.1
[M+CH3COO]- 550.03213 229.7
[M+Na-2H]- 511.99295 200.9
[M]+ 491.01773 209.8
[M]- 491.01883 209.8
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.