CID 476457

Chembl602296

Structural Information

Molecular Formula
C12H17N9O2
SMILES
CN(C)C1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-])N
InChI
InChI=1S/C12H17N9O2/c1-20(2)10-9-11(17-12(13)16-10)21(5-15-9)8-3-6(18-19-14)7(4-22)23-8/h5-8,22H,3-4H2,1-2H3,(H2,13,16,17)/t6-,7+,8+/m0/s1
InChIKey
DFJXOUXQJVZGDD-XLPZGREQSA-N
Compound name
[(2S,3S,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

319.1505 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.15778 168.8
[M+Na]+ 342.13972 176.2
[M-H]- 318.14322 175.9
[M+NH4]+ 337.18432 180.4
[M+K]+ 358.11366 169.9
[M+H-H2O]+ 302.14776 162.8
[M+HCOO]- 364.14870 194.8
[M+CH3COO]- 378.16435 215.3
[M+Na-2H]- 340.12517 176.9
[M]+ 319.14995 168.0
[M]- 319.15105 168.0
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