CID 451976

9-deaza-d4a

Structural Information

Molecular Formula
C11H12N4O2
SMILES
C1=C[C@@H](O[C@@H]1CO)C2=CNC3=C2N=CN=C3N
InChI
InChI=1S/C11H12N4O2/c12-11-10-9(14-5-15-11)7(3-13-10)8-2-1-6(4-16)17-8/h1-3,5-6,8,13,16H,4H2,(H2,12,14,15)/t6-,8+/m0/s1
InChIKey
QHNXIYZBKXDTAC-POYBYMJQSA-N
Compound name
[(2S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,5-dihydrofuran-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.09602 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10330 148.2
[M+Na]+ 255.08524 158.3
[M-H]- 231.08874 150.9
[M+NH4]+ 250.12984 163.8
[M+K]+ 271.05918 154.4
[M+H-H2O]+ 215.09328 140.6
[M+HCOO]- 277.09422 168.0
[M+CH3COO]- 291.10987 160.4
[M+Na-2H]- 253.07069 152.4
[M]+ 232.09547 147.7
[M]- 232.09657 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.