CID 451849

5-aza-1-deaza-ddc

Structural Information

Molecular Formula
C9H13N3O3
SMILES
C1C[C@@H](O[C@@H]1CO)C2=CN=C(NC2=O)N
InChI
InChI=1S/C9H13N3O3/c10-9-11-3-6(8(14)12-9)7-2-1-5(4-13)15-7/h3,5,7,13H,1-2,4H2,(H3,10,11,12,14)/t5-,7+/m0/s1
InChIKey
QFLQFVGGIKVFFP-CAHLUQPWSA-N
Compound name
2-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

211.09569 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.102966 144.9
[M+Na]+ 234.084908 152.7
[M-H]- 210.088414 146.9
[M+NH4]+ 229.129513 159.6
[M+K]+ 250.058848 149.9
[M+H-H2O]+ 194.092950 137.4
[M+HCOO]- 256.093891 163.4
[M+CH3COO]- 270.109541 181.5
[M+Na-2H]- 232.070356 148.0
[M]+ 211.09514142 141.1
[M]- 211.09623858 141.1
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.