CID 476452

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

Structural Information

Molecular Formula
C14H19N9O2
SMILES
C1CC(C1)NC2=C3C(=NC(=N2)N)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)N=[N+]=[N-]
InChI
InChI=1S/C14H19N9O2/c15-14-19-12(18-7-2-1-3-7)11-13(20-14)23(6-17-11)10-4-8(21-22-16)9(5-24)25-10/h6-10,24H,1-5H2,(H3,15,18,19,20)/t8-,9+,10+/m0/s1
InChIKey
HAQKEOAEDMBZFK-IVZWLZJFSA-N
Compound name
[(2S,3S,5R)-5-[2-amino-6-(cyclobutylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.16617 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.17345 171.2
[M+Na]+ 368.15539 174.0
[M-H]- 344.15889 178.5
[M+NH4]+ 363.19999 174.1
[M+K]+ 384.12933 170.3
[M+H-H2O]+ 328.16343 157.8
[M+HCOO]- 390.16437 193.3
[M+CH3COO]- 404.18002 218.8
[M+Na-2H]- 366.14084 177.8
[M]+ 345.16562 175.1
[M]- 345.16672 175.1
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

No patent data available for this compound.