CID 476442

Ssrstzcledsmin-ivzwlzjfsa-n

Structural Information

Molecular Formula
C14H18N8O3
SMILES
C1CC(C1)OC2=NC(=NC3=C2N=CN3[C@H]4C[C@@H]([C@H](O4)CO)N=[N+]=[N-])N
InChI
InChI=1S/C14H18N8O3/c15-14-18-12-11(13(19-14)24-7-2-1-3-7)17-6-22(12)10-4-8(20-21-16)9(5-23)25-10/h6-10,23H,1-5H2,(H2,15,18,19)/t8-,9+,10+/m0/s1
InChIKey
SSRSTZCLEDSMIN-IVZWLZJFSA-N
Compound name
[(2S,3S,5R)-5-(2-amino-6-cyclobutyloxypurin-9-yl)-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

346.15018 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15746 170.5
[M+Na]+ 369.13940 174.1
[M-H]- 345.14290 177.9
[M+NH4]+ 364.18400 173.7
[M+K]+ 385.11334 170.8
[M+H-H2O]+ 329.14744 157.8
[M+HCOO]- 391.14838 191.9
[M+CH3COO]- 405.16403 216.0
[M+Na-2H]- 367.12485 176.5
[M]+ 346.14963 176.3
[M]- 346.15073 176.3
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.