CID 476439

Kdywtmzpxyrpbl-xlpzgreqsa-n

Structural Information

Molecular Formula
C12H16N8O3
SMILES
CCOC1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-])N
InChI
InChI=1S/C12H16N8O3/c1-2-22-11-9-10(16-12(13)17-11)20(5-15-9)8-3-6(18-19-14)7(4-21)23-8/h5-8,21H,2-4H2,1H3,(H2,13,16,17)/t6-,7+,8+/m0/s1
InChIKey
KDYWTMZPXYRPBL-XLPZGREQSA-N
Compound name
[(2S,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

320.13452 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14180 168.2
[M+Na]+ 343.12374 176.1
[M-H]- 319.12724 173.9
[M+NH4]+ 338.16834 179.4
[M+K]+ 359.09768 169.0
[M+H-H2O]+ 303.13178 162.6
[M+HCOO]- 365.13272 192.9
[M+CH3COO]- 379.14837 209.3
[M+Na-2H]- 341.10919 176.3
[M]+ 320.13397 168.2
[M]- 320.13507 168.2
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.