CID 451959

7-deaza-2',3'-dideoxyadenosine

Structural Information

Molecular Formula
C11H14N4O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=CC3=C(N=CN=C32)N
InChI
InChI=1S/C11H14N4O2/c12-10-8-3-4-15(11(8)14-6-13-10)9-2-1-7(5-16)17-9/h3-4,6-7,9,16H,1-2,5H2,(H2,12,13,14)/t7-,9+/m0/s1
InChIKey
IMONOBVOMFRFGW-IONNQARKSA-N
Compound name
[(2S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

234.11168 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11896 149.4
[M+Na]+ 257.10090 158.9
[M-H]- 233.10440 153.0
[M+NH4]+ 252.14550 165.5
[M+K]+ 273.07484 156.1
[M+H-H2O]+ 217.10894 141.5
[M+HCOO]- 279.10988 169.2
[M+CH3COO]- 293.12553 161.7
[M+Na-2H]- 255.08635 153.0
[M]+ 234.11113 149.2
[M]- 234.11223 149.2
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