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]+ 240.09788 152.6
[M+Na]+ 262.07982 161.0
[M-H]- 238.08332 154.9
[M+NH4]+ 257.12442 164.5
[M+K]+ 278.05376 158.4
[M+H-H2O]+ 222.08786 144.3
[M+HCOO]- 284.08880 170.2
[M+CH3COO]- 298.10445 188.4
[M+Na-2H]- 260.06527 157.0
[M]+ 239.09005 150.4
[M]- 239.09115 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.