CID 498278

Nsc619378

Structural Information

Molecular Formula
C8H13N4O8P
SMILES
C1=NC(=NC(=O)N1[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O)N
InChI
InChI=1S/C8H13N4O8P/c9-7-10-2-12(8(15)11-7)6-5(14)4(13)3(20-6)1-19-21(16,17)18/h2-6,13-14H,1H2,(H2,9,11,15)(H2,16,17,18)/t3-,4-,5-,6-/m0/s1
InChIKey
WODABQYEPQRZOS-BXKVDMCESA-N
Compound name
[(2S,3R,4S,5S)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.0471 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.05438 166.6
[M+Na]+ 347.03632 173.3
[M-H]- 323.03982 164.3
[M+NH4]+ 342.08092 174.0
[M+K]+ 363.01026 173.0
[M+H-H2O]+ 307.04436 156.6
[M+HCOO]- 369.04530 185.0
[M+CH3COO]- 383.06095 199.2
[M+Na-2H]- 345.02177 166.4
[M]+ 324.04655 166.3
[M]- 324.04765 166.3
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.