CID 476445

[(2s,3s,5r)-5-(2-amino-6-butoxy-purin-9-yl)-3-azido-tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C14H20N8O3
SMILES
CCCCOC1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-])N
InChI
InChI=1S/C14H20N8O3/c1-2-3-4-24-13-11-12(18-14(15)19-13)22(7-17-11)10-5-8(20-21-16)9(6-23)25-10/h7-10,23H,2-6H2,1H3,(H2,15,18,19)/t8-,9+,10+/m0/s1
InChIKey
SAPLXBGZYFMUHY-IVZWLZJFSA-N
Compound name
[(2S,3S,5R)-5-(2-amino-6-butoxypurin-9-yl)-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.16583 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17311 177.0
[M+Na]+ 371.15505 184.0
[M-H]- 347.15855 182.3
[M+NH4]+ 366.19965 187.1
[M+K]+ 387.12899 176.5
[M+H-H2O]+ 331.16309 171.0
[M+HCOO]- 393.16403 201.0
[M+CH3COO]- 407.17968 215.2
[M+Na-2H]- 369.14050 184.2
[M]+ 348.16528 177.6
[M]- 348.16638 177.6
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

No patent data available for this compound.