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

literature stripe

Patent stripe

patents stripe