CID 54770636

Chembl1830924

Structural Information

Molecular Formula
C10H11ClN8O2
SMILES
C1[C@H]([C@@H](O[C@@H]1N2C=NC3=C2N=C(N=C3Cl)N)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H11ClN8O2/c11-8-7-9(16-10(12)15-8)19(3-14-7)6-1-4(17-18-13)5(2-20)21-6/h3-6,20H,1-2H2,(H2,12,15,16)/t4-,5+,6+/m1/s1
InChIKey
MBKQSFKDAOUJNL-SRQIZXRXSA-N
Compound name
[(2R,3R,5S)-5-(2-amino-6-chloropurin-9-yl)-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

310.06934 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.07662 167.8
[M+Na]+ 333.05856 177.0
[M-H]- 309.06206 172.9
[M+NH4]+ 328.10316 180.1
[M+K]+ 349.03250 168.6
[M+H-H2O]+ 293.06660 162.5
[M+HCOO]- 355.06754 188.0
[M+CH3COO]- 369.08319 204.7
[M+Na-2H]- 331.04401 175.3
[M]+ 310.06879 167.5
[M]- 310.06989 167.5
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