CID 476463

Refchem:909604

Structural Information

Molecular Formula
C14H19N9O2
SMILES
C1CCN(C1)C2=NC(=NC3=C2N=CN3[C@H]4C[C@@H]([C@H](O4)CO)N=[N+]=[N-])N
InChI
InChI=1S/C14H19N9O2/c15-14-18-12(22-3-1-2-4-22)11-13(19-14)23(7-17-11)10-5-8(20-21-16)9(6-24)25-10/h7-10,24H,1-6H2,(H2,15,18,19)/t8-,9+,10+/m0/s1
InChIKey
BDODFGNIKYZYFX-IVZWLZJFSA-N
Compound name
[(2S,3S,5R)-5-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

345.16617 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.17345 173.5
[M+Na]+ 368.15539 179.3
[M-H]- 344.15889 181.0
[M+NH4]+ 363.19999 183.6
[M+K]+ 384.12933 171.9
[M+H-H2O]+ 328.16343 167.0
[M+HCOO]- 390.16437 195.3
[M+CH3COO]- 404.18002 213.0
[M+Na-2H]- 366.14084 178.1
[M]+ 345.16562 169.1
[M]- 345.16672 169.1
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