CID 135538686

Azddg-5'-h2po3

Structural Information

Molecular Formula
C10H12N8O5P
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO[P+](=O)O)N=[N+]=[N-]
InChI
InChI=1S/C10H11N8O5P/c11-10-14-8-7(9(19)15-10)13-3-18(8)6-1-4(16-17-12)5(23-6)2-22-24(20)21/h3-6H,1-2H2,(H3-,11,14,15,19,20,21)/p+1/t4-,5+,6+/m0/s1
InChIKey
ABMJITJZXWCHPX-KVQBGUIXSA-O
Compound name
[(2S,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-azidooxolan-2-yl]methoxy-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

355.06683 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.07411 166.5
[M+Na]+ 378.05605 172.0
[M-H]- 354.05955 170.3
[M+NH4]+ 373.10065 174.8
[M+K]+ 394.02999 160.7
[M+H-H2O]+ 338.06409 161.6
[M+HCOO]- 400.06503 193.6
[M+CH3COO]- 414.08068 204.2
[M+Na-2H]- 376.04150 175.5
[M]+ 355.06628 163.0
[M]- 355.06738 163.0
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

patents stripe