CID 49767742

[(2r,4r)-4-(2-amino-6-azido-purin-9-yl)-1,3-dioxolan-2-yl]methanol

Structural Information

Molecular Formula
C9H10N8O3
SMILES
C1[C@@H](O[C@@H](O1)CO)N2C=NC3=C(N=C(N=C32)N)N=[N+]=[N-]
InChI
InChI=1S/C9H10N8O3/c10-9-13-7(15-16-11)6-8(14-9)17(3-12-6)4-2-19-5(1-18)20-4/h3-5,18H,1-2H2,(H2,10,13,14)/t4-,5-/m1/s1
InChIKey
JZQLTWKPVUVZSE-RFZPGFLSSA-N
Compound name
[(2R,4R)-4-(2-amino-6-azidopurin-9-yl)-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.0876 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09488 156.2
[M+Na]+ 301.07682 164.7
[M-H]- 277.08032 162.4
[M+NH4]+ 296.12142 167.5
[M+K]+ 317.05076 158.9
[M+H-H2O]+ 261.08486 150.9
[M+HCOO]- 323.08580 180.8
[M+CH3COO]- 337.10145 199.6
[M+Na-2H]- 299.06227 166.4
[M]+ 278.08705 155.3
[M]- 278.08815 155.3
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.