CID 484365

Chembl80824

Structural Information

Molecular Formula
C11H14N8OS
SMILES
CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@H](C[C@H](S3)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H14N8OS/c1-13-9-8-10(15-4-14-9)19(5-16-8)11-7(17-18-12)2-6(3-20)21-11/h4-7,11,20H,2-3H2,1H3,(H,13,14,15)/t6-,7-,11+/m0/s1
InChIKey
JEDAWZPZTLQCLS-OKTBNZSVSA-N
Compound name
[(2S,4S,5R)-4-azido-5-[6-(methylamino)purin-9-yl]thiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

306.10114 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10842 161.1
[M+Na]+ 329.09036 169.7
[M-H]- 305.09386 166.5
[M+NH4]+ 324.13496 175.2
[M+K]+ 345.06430 160.6
[M+H-H2O]+ 289.09840 156.3
[M+HCOO]- 351.09934 182.6
[M+CH3COO]- 365.11499 204.7
[M+Na-2H]- 327.07581 168.3
[M]+ 306.10059 160.2
[M]- 306.10169 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

literature stripe

Patent stripe

No patent data available for this compound.