CID 3013605

[[[[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]-difluoro-methyl]-n-diazo-phosphonamidic acid

Structural Information

Molecular Formula
C11H15F2N8O11P3
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(N=[N+]=[N-])O)O)N=[N+]=[N-]
InChI
InChI=1S/C11H15F2N8O11P3/c1-5-3-21(10(23)16-9(5)22)8-2-6(17-18-14)7(31-8)4-30-35(28,29)32-34(26,27)11(12,13)33(24,25)20-19-15/h3,6-8H,2,4H2,1H3,(H,24,25)(H,26,27)(H,28,29)(H,16,22,23)/t6-,7+,8+/m0/s1
InChIKey
WZEWPGJYEFLFFD-XLPZGREQSA-N
Compound name
[[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-difluoromethyl]-N-diazophosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

566.00415 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.01143 207.4
[M+Na]+ 588.99337 259.4
[M-H]- 564.99687 264.8
[M+NH4]+ 584.03797 256.1
[M+K]+ 604.96731 210.1
[M+H-H2O]+ 549.00141 197.3
[M+HCOO]- 611.00235 275.7
[M+CH3COO]- 625.01800 239.1
[M+Na-2H]- 586.97882 235.8
[M]+ 566.00360 231.9
[M]- 566.00470 231.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.