CID 453159

102794-38-7

Structural Information

Molecular Formula
C10H13N3O4
SMILES
C1=C[C@@H](O[C@@H]([C@H]1O)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H13N3O4/c11-8-3-4-13(10(16)12-8)9-2-1-6(15)7(5-14)17-9/h1-4,6-7,9,14-15H,5H2,(H2,11,12,16)/t6-,7+,9+/m0/s1
InChIKey
KTUNKDVOXRICEI-LKEWCRSYSA-N
Compound name
4-amino-1-[(2R,3S,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0906 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.097876 152.6
[M+Na]+ 262.079818 161.0
[M-H]- 238.083324 154.9
[M+NH4]+ 257.124423 164.5
[M+K]+ 278.053758 158.4
[M+H-H2O]+ 222.087860 144.3
[M+HCOO]- 284.088801 170.2
[M+CH3COO]- 298.104451 188.4
[M+Na-2H]- 260.065266 157.0
[M]+ 239.09005142 150.4
[M]- 239.09114858 150.4
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.