CID 9578751

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

Structural Information

Molecular Formula
C11H15BF2N5O11P3
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)O)O
InChI
InChI=1S/C11H15BF2N5O11P3/c1-5-3-19(10(21)16-9(5)20)8-2-6(17-18-15)7(29-8)4-28-33(12,27)30-32(25,26)11(13,14)31(22,23)24/h3,6-8H,2,4H2,1H3,(H,25,26)(H,16,20,21)(H2,22,23,24)/t6-,7+,8+,33-/m0/s1
InChIKey
MZCKHRBAFMXSOD-CBZOHTKOSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.0042 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.01148 209.7
[M+Na]+ 557.99342 221.8
[M-H]- 533.99692 224.8
[M+NH4]+ 553.03802 219.8
[M+K]+ 573.96736 206.7
[M+H-H2O]+ 518.00146 179.2
[M+HCOO]- 580.00240 242.4
[M+CH3COO]- 594.01805 235.0
[M+Na-2H]- 555.97887 217.0
[M]+ 535.00365 201.3
[M]- 535.00475 201.3
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.