CID 451912

Carbocyclic-3'-azido-ara-adenosine

Structural Information

Molecular Formula
C11H14N8O2
SMILES
C1[C@@H]([C@H]([C@@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)N=[N+]=[N-])CO
InChI
InChI=1S/C11H14N8O2/c12-10-8-11(15-3-14-10)19(4-16-8)6-1-5(2-20)7(9(6)21)17-18-13/h3-7,9,20-21H,1-2H2,(H2,12,14,15)/t5-,6-,7-,9-/m1/s1
InChIKey
YSQSXJRTEDLTMS-JXOAFFINSA-N
Compound name
(1R,2R,3S,5R)-5-(6-aminopurin-9-yl)-2-azido-3-(hydroxymethyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.12396 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13124 158.3
[M+Na]+ 313.11318 166.5
[M-H]- 289.11668 162.4
[M+NH4]+ 308.15778 171.6
[M+K]+ 329.08712 157.7
[M+H-H2O]+ 273.12122 153.2
[M+HCOO]- 335.12216 182.9
[M+CH3COO]- 349.13781 201.4
[M+Na-2H]- 311.09863 166.3
[M]+ 290.12341 154.5
[M]- 290.12451 154.5
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.