CID 451975

9-deaza-dda

Structural Information

Molecular Formula
C11H14N4O2
SMILES
C1C[C@@H](O[C@@H]1CO)C2=CNC3=C2N=CN=C3N
InChI
InChI=1S/C11H14N4O2/c12-11-10-9(14-5-15-11)7(3-13-10)8-2-1-6(4-16)17-8/h3,5-6,8,13,16H,1-2,4H2,(H2,12,14,15)/t6-,8+/m0/s1
InChIKey
DRNBCFGKTUTNRZ-POYBYMJQSA-N
Compound name
[(2S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

234.11168 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11896 149.6
[M+Na]+ 257.10090 158.7
[M-H]- 233.10440 151.9
[M+NH4]+ 252.14550 165.0
[M+K]+ 273.07484 155.0
[M+H-H2O]+ 217.10894 142.0
[M+HCOO]- 279.10988 167.9
[M+CH3COO]- 293.12553 161.2
[M+Na-2H]- 255.08635 152.8
[M]+ 234.11113 147.7
[M]- 234.11223 147.7
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.