CID 11820976

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

Structural Information

Molecular Formula
C17H18BF2N6O13P3
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=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C17H18BF2N6O13P3/c1-9-7-25(16(28)22-15(9)27)14-6-12(23-24-21)13(37-14)8-36-42(18,35)39-41(33,34)17(19,20)40(31,32)38-11-4-2-10(3-5-11)26(29)30/h2-5,7,12-14H,6,8H2,1H3,(H,31,32)(H,33,34)(H,22,27,28)/q-1/t12-,13+,14+,42-/m0/s1
InChIKey
PZMHIGDZZZGETN-WQORWRDESA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

656.02057 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 657.02785 217.0
[M+Na]+ 679.00979 222.8
[M-H]- 655.01329 223.4
[M+NH4]+ 674.05439 260.5
[M+K]+ 694.98373 218.1
[M+H-H2O]+ 639.01783 206.9
[M+HCOO]- 701.01877 224.6
[M+CH3COO]- 715.03442 246.8
[M+Na-2H]- 676.99524 249.4
[M]+ 656.02002 244.1
[M]- 656.02112 244.1
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.