CID 454131

4-amino-1-[(2r,4r)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methyl-pyrimidin-2-one

Structural Information

Molecular Formula
C9H13N3O4
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2CO[C@H](O2)CO
InChI
InChI=1S/C9H13N3O4/c1-5-2-12(9(14)11-8(5)10)6-4-15-7(3-13)16-6/h2,6-7,13H,3-4H2,1H3,(H2,10,11,14)/t6-,7-/m1/s1
InChIKey
MJGOECXTQVPSJN-RNFRBKRXSA-N
Compound name
4-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

227.0906 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09788 149.0
[M+Na]+ 250.07982 158.1
[M-H]- 226.08332 153.4
[M+NH4]+ 245.12442 162.6
[M+K]+ 266.05376 157.6
[M+H-H2O]+ 210.08786 141.5
[M+HCOO]- 272.08880 168.2
[M+CH3COO]- 286.10445 187.7
[M+Na-2H]- 248.06527 152.4
[M]+ 227.09005 149.5
[M]- 227.09115 149.5
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.