CID 6365104

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

Structural Information

Molecular Formula
C11H16BFN5O11P3
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)P(=O)(O)O)O
InChI
InChI=1S/C11H16BFN5O11P3/c1-5-3-18(11(20)15-9(5)19)8-2-6(16-17-14)7(28-8)4-27-32(12,26)29-31(24,25)10(13)30(21,22)23/h3,6-8,10H,2,4H2,1H3,(H,24,25)(H,15,19,20)(H2,21,22,23)/q-1/t6-,7+,8+,10?,32?/m0/s1
InChIKey
NMIXXVAQLNVRSV-ZWLKWNGRSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

517.0136 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.02088 218.9
[M+Na]+ 540.00282 229.8
[M-H]- 516.00632 230.3
[M+NH4]+ 535.04742 227.6
[M+K]+ 555.97676 218.1
[M+H-H2O]+ 500.01086 186.1
[M+HCOO]- 562.01180 245.7
[M+CH3COO]- 576.02745 229.1
[M+Na-2H]- 537.98827 203.3
[M]+ 517.01305 207.6
[M]- 517.01415 207.6
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.