CID 476465

[(2s,3s,5r)-5-(2-amino-6-methyl-purin-9-yl)-3-azido-tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C11H14N8O2
SMILES
CC1=C2C(=NC(=N1)N)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H14N8O2/c1-5-9-10(16-11(12)15-5)19(4-14-9)8-2-6(17-18-13)7(3-20)21-8/h4,6-8,20H,2-3H2,1H3,(H2,12,15,16)/t6-,7+,8+/m0/s1
InChIKey
YCIAWCZUXWMJOE-XLPZGREQSA-N
Compound name
[(2S,3S,5R)-5-(2-amino-6-methylpurin-9-yl)-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.12396 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13124 161.8
[M+Na]+ 313.11318 170.5
[M-H]- 289.11668 167.6
[M+NH4]+ 308.15778 174.4
[M+K]+ 329.08712 163.1
[M+H-H2O]+ 273.12122 156.4
[M+HCOO]- 335.12216 186.7
[M+CH3COO]- 349.13781 204.1
[M+Na-2H]- 311.09863 170.0
[M]+ 290.12341 160.2
[M]- 290.12451 160.2
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

No patent data available for this compound.