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

literature stripe

Patent stripe

patents stripe