CID 3008206

4-amino-1-[(2r,3r,4s)-3-hydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C9H13N3O4
SMILES
C1[C@@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)CO
InChI
InChI=1S/C9H13N3O4/c10-6-1-2-12(9(15)11-6)8-7(14)5(3-13)4-16-8/h1-2,5,7-8,13-14H,3-4H2,(H2,10,11,15)/t5-,7+,8+/m0/s1
InChIKey
DJZBAXLBWHMMHW-UIISKDMLSA-N
Compound name
4-amino-1-[(2R,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.0906 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09788 147.8
[M+Na]+ 250.07982 156.3
[M-H]- 226.08332 150.2
[M+NH4]+ 245.12442 162.0
[M+K]+ 266.05376 154.2
[M+H-H2O]+ 210.08786 140.4
[M+HCOO]- 272.08880 166.4
[M+CH3COO]- 286.10445 185.2
[M+Na-2H]- 248.06527 150.3
[M]+ 227.09005 145.9
[M]- 227.09115 145.9
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.