CID 3012048

[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl bis(2,2,2-trichloroethyl) phosphate

Structural Information

Molecular Formula
C14H16Cl6N5O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)N=[N+]=[N-]
InChI
InChI=1S/C14H16Cl6N5O7P/c1-7-3-25(12(27)22-11(7)26)10-2-8(23-24-21)9(32-10)4-29-33(28,30-5-13(15,16)17)31-6-14(18,19)20/h3,8-10H,2,4-6H2,1H3,(H,22,26,27)/t8-,9+,10+/m0/s1
InChIKey
JMZPLVUXRHOSCL-IVZWLZJFSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(2,2,2-trichloroethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.89185 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.89913 233.9
[M+Na]+ 629.88107 235.7
[M-H]- 605.88457 232.2
[M+NH4]+ 624.92567 235.0
[M+K]+ 645.85501 232.3
[M+H-H2O]+ 589.88911 229.7
[M+HCOO]- 651.89005 226.8
[M+CH3COO]- 665.90570 243.1
[M+Na-2H]- 627.86652 233.8
[M]+ 606.89130 233.2
[M]- 606.89240 233.2
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.