CID 453165

6-ohme-1,4-dox-c

Structural Information

Molecular Formula
C9H13N3O4
SMILES
C1[C@H](O[C@H](CO1)N2C=CC(=NC2=O)N)CO
InChI
InChI=1S/C9H13N3O4/c10-7-1-2-12(9(14)11-7)8-5-15-4-6(3-13)16-8/h1-2,6,8,13H,3-5H2,(H2,10,11,14)/t6-,8-/m1/s1
InChIKey
FYRKOAOARMWXHR-HTRCEHHLSA-N
Compound name
4-amino-1-[(2R,6R)-6-(hydroxymethyl)-1,4-dioxan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 150.3
[M+Na]+ 250.07982 157.8
[M-H]- 226.08332 154.0
[M+NH4]+ 245.12442 161.7
[M+K]+ 266.05376 157.2
[M+H-H2O]+ 210.08786 141.6
[M+HCOO]- 272.08880 167.3
[M+CH3COO]- 286.10445 187.1
[M+Na-2H]- 248.06527 155.9
[M]+ 227.09005 148.3
[M]- 227.09115 148.3
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.