CID 9567716

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

Structural Information

Molecular Formula
C12H17BF2N5O11P3
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)OC)O
InChI
InChI=1S/C12H17BF2N5O11P3/c1-6-4-20(11(22)17-10(6)21)9-3-7(18-19-16)8(30-9)5-29-34(13,27)31-33(25,26)12(14,15)32(23,24)28-2/h4,7-9H,3,5H2,1-2H3,(H,23,24)(H,25,26)(H,17,21,22)/q-1/t7-,8+,9+,34-/m0/s1
InChIKey
KZJKXWYOFHOTAQ-LNQYISJTSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

549.01984 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.02712 223.8
[M+Na]+ 572.00906 234.8
[M-H]- 548.01256 236.4
[M+NH4]+ 567.05366 234.6
[M+K]+ 587.98300 224.7
[M+H-H2O]+ 532.01710 190.0
[M+HCOO]- 594.01804 254.4
[M+CH3COO]- 608.03369 236.2
[M+Na-2H]- 569.99451 208.2
[M]+ 549.01929 214.3
[M]- 549.02039 214.3
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.