CID 3012050

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

Structural Information

Molecular Formula
C14H16F6N5O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCC(F)(F)F)OCC(F)(F)F)N=[N+]=[N-]
InChI
InChI=1S/C14H16F6N5O7P/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
CRQAUWMPSHNIMD-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-trifluoroethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.06915 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.07643 201.0
[M+Na]+ 534.05837 207.0
[M-H]- 510.06187 199.3
[M+NH4]+ 529.10297 210.9
[M+K]+ 550.03231 201.1
[M+H-H2O]+ 494.06641 190.2
[M+HCOO]- 556.06735 234.4
[M+CH3COO]- 570.08300 236.4
[M+Na-2H]- 532.04382 208.2
[M]+ 511.06860 196.2
[M]- 511.06970 196.2
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.