CID 9567717

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

Structural Information

Molecular Formula
C17H19BF2N5O11P3
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)OC3=CC=CC=C3)O
InChI
InChI=1S/C17H19BF2N5O11P3/c1-10-8-25(16(27)22-15(10)26)14-7-12(23-24-21)13(34-14)9-33-39(18,32)36-38(30,31)17(19,20)37(28,29)35-11-5-3-2-4-6-11/h2-6,8,12-14H,7,9H2,1H3,(H,28,29)(H,30,31)(H,22,26,27)/q-1/t12-,13+,14+,39-/m0/s1
InChIKey
BKTHDBQFYNEMRH-BHYXQAGJSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

611.0355 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.04278 224.1
[M+Na]+ 634.02472 236.8
[M-H]- 610.02822 236.2
[M+NH4]+ 629.06932 235.2
[M+K]+ 649.99866 224.9
[M+H-H2O]+ 594.03276 192.0
[M+HCOO]- 656.03370 258.0
[M+CH3COO]- 670.04935 247.0
[M+Na-2H]- 632.01017 236.6
[M]+ 611.03495 214.8
[M]- 611.03605 214.8
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.