CID 511243

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

Structural Information

Molecular Formula
C12H15F3N5O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OCC(F)(F)F)N=[N+]=[N-]
InChI
InChI=1S/C12H15F3N5O7P/c1-6-3-20(11(22)17-10(6)21)9-2-7(18-19-16)8(27-9)4-25-28(23,24)26-5-12(13,14)15/h3,7-9H,2,4-5H2,1H3,(H,23,24)(H,17,21,22)/t7-,8+,9+/m0/s1
InChIKey
MHGRVVNRJGJMFH-DJLDLDEBSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2,2,2-trifluoroethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.06613 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.07341 184.3
[M+Na]+ 452.05535 190.3
[M-H]- 428.05885 185.2
[M+NH4]+ 447.09995 190.9
[M+K]+ 468.02929 184.5
[M+H-H2O]+ 412.06339 176.0
[M+HCOO]- 474.06433 207.6
[M+CH3COO]- 488.07998 220.4
[M+Na-2H]- 450.04080 191.5
[M]+ 429.06558 181.5
[M]- 429.06668 181.5
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.