CID 511185

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

Structural Information

Molecular Formula
C15H21Cl3N3O6P
SMILES
CCCNP(=O)(OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C15H21Cl3N3O6P/c1-3-6-19-28(24,26-9-15(16,17)18)25-8-11-4-5-12(27-11)21-7-10(2)13(22)20-14(21)23/h4-5,7,11-12H,3,6,8-9H2,1-2H3,(H,19,24)(H,20,22,23)/t11-,12+,28?/m0/s1
InChIKey
FYCQIPVULRUNPL-YMEPOAJBSA-N
Compound name
5-methyl-1-[(2R,5S)-5-[[propylamino(2,2,2-trichloroethoxy)phosphoryl]oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.02335 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.03063 200.0
[M+Na]+ 498.01257 207.6
[M-H]- 474.01607 201.9
[M+NH4]+ 493.05717 207.3
[M+K]+ 513.98651 203.8
[M+H-H2O]+ 458.02061 191.3
[M+HCOO]- 520.02155 207.4
[M+CH3COO]- 534.03720 227.6
[M+Na-2H]- 495.99802 199.9
[M]+ 475.02280 208.1
[M]- 475.02390 208.1
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.