CID 511189

[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2,2,2-trichloroethyl hydrogen phosphate

Structural Information

Molecular Formula
C12H14Cl3N2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(O)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C12H14Cl3N2O7P/c1-7-4-17(11(19)16-10(7)18)9-3-2-8(24-9)5-22-25(20,21)23-6-12(13,14)15/h2-4,8-9H,5-6H2,1H3,(H,20,21)(H,16,18,19)/t8-,9+/m0/s1
InChIKey
XWGOFQOCHVOEBJ-DTWKUNHWSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2,2,2-trichloroethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.96042 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.96770 182.6
[M+Na]+ 456.94964 191.9
[M-H]- 432.95314 183.9
[M+NH4]+ 451.99424 191.2
[M+K]+ 472.92358 188.6
[M+H-H2O]+ 416.95768 175.2
[M+HCOO]- 478.95862 189.0
[M+CH3COO]- 492.97427 214.2
[M+Na-2H]- 454.93509 183.6
[M]+ 433.95987 190.1
[M]- 433.96097 190.1
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.