CID 476440

Arknksswwbarce-djldldebsa-n

Structural Information

Molecular Formula
C13H18N8O3
SMILES
CCCOC1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-])N
InChI
InChI=1S/C13H18N8O3/c1-2-3-23-12-10-11(17-13(14)18-12)21(6-16-10)9-4-7(19-20-15)8(5-22)24-9/h6-9,22H,2-5H2,1H3,(H2,14,17,18)/t7-,8+,9+/m0/s1
InChIKey
ARKNKSSWWBARCE-DJLDLDEBSA-N
Compound name
[(2S,3S,5R)-5-(2-amino-6-propoxypurin-9-yl)-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

334.15018 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15746 172.6
[M+Na]+ 357.13940 180.1
[M-H]- 333.14290 178.1
[M+NH4]+ 352.18400 183.3
[M+K]+ 373.11334 172.8
[M+H-H2O]+ 317.14744 166.8
[M+HCOO]- 379.14838 197.0
[M+CH3COO]- 393.16403 212.3
[M+Na-2H]- 355.12485 180.3
[M]+ 334.14963 172.9
[M]- 334.15073 172.9
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.