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

literature stripe

Patent stripe

patents stripe