CID 476438

Chembl589635

Structural Information

Molecular Formula
C11H14N8O3
SMILES
COC1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-])N
InChI
InChI=1S/C11H14N8O3/c1-21-10-8-9(15-11(12)16-10)19(4-14-8)7-2-5(17-18-13)6(3-20)22-7/h4-7,20H,2-3H2,1H3,(H2,12,15,16)/t5-,6+,7+/m0/s1
InChIKey
JOLBOHJOLVOIKK-RRKCRQDMSA-N
Compound name
[(2S,3S,5R)-5-(2-amino-6-methoxypurin-9-yl)-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

306.1189 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12618 163.8
[M+Na]+ 329.10812 172.2
[M-H]- 305.11162 169.6
[M+NH4]+ 324.15272 175.6
[M+K]+ 345.08206 165.3
[M+H-H2O]+ 289.11616 158.3
[M+HCOO]- 351.11710 188.8
[M+CH3COO]- 365.13275 206.3
[M+Na-2H]- 327.09357 172.4
[M]+ 306.11835 163.4
[M]- 306.11945 163.4
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