CID 11820972

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

Structural Information

Molecular Formula
C17H25BF2N5O13P3
SMILES
[B-][P@](=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OP(=O)(C(F)(F)P(=O)(O)OCOC(=O)C(C)(C)C)O
InChI
InChI=1S/C17H25BF2N5O13P3/c1-9-6-25(15(28)22-13(9)26)12-5-10(23-24-21)11(37-12)7-35-41(18,33)38-40(31,32)17(19,20)39(29,30)36-8-34-14(27)16(2,3)4/h6,10-12H,5,7-8H2,1-4H3,(H,29,30)(H,31,32)(H,22,26,28)/q-1/t10-,11+,12+,41-/m0/s1
InChIKey
BMCSKGQVZVNALJ-AXHNABHESA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

649.07227 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 650.07955 243.2
[M+Na]+ 672.06149 252.9
[M-H]- 648.06499 259.6
[M+NH4]+ 667.10609 258.0
[M+K]+ 688.03543 246.2
[M+H-H2O]+ 632.06953 208.3
[M+HCOO]- 694.07047 269.8
[M+CH3COO]- 708.08612 252.8
[M+Na-2H]- 670.04694 239.9
[M]+ 649.07172 237.6
[M]- 649.07282 237.6
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.