CID 457973

87190-76-9

Structural Information

Molecular Formula
C13H14N8O4
SMILES
CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)N3C=NC=N3)N=[N+]=[N-]
InChI
InChI=1S/C13H14N8O4/c1-8(22)24-5-10-9(18-19-14)4-12(25-10)20-3-2-11(17-13(20)23)21-7-15-6-16-21/h2-3,6-7,9-10,12H,4-5H2,1H3/t9-,10+,12+/m0/s1
InChIKey
SGSTZVCBHMEELE-HOSYDEDBSA-N
Compound name
[(2S,3S,5R)-3-azido-5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.1138 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.12108 176.2
[M+Na]+ 369.10302 183.0
[M-H]- 345.10652 184.2
[M+NH4]+ 364.14762 184.2
[M+K]+ 385.07696 176.7
[M+H-H2O]+ 329.11106 168.7
[M+HCOO]- 391.11200 199.8
[M+CH3COO]- 405.12765 211.3
[M+Na-2H]- 367.08847 182.3
[M]+ 346.11325 176.1
[M]- 346.11435 176.1
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.