CID 13245507

4-amino-1-[(1r,3r,4s,7r)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-1,2-dihydropyrimidin-2-one

Structural Information

Molecular Formula
C9H11N3O4
SMILES
C1[C@@H]2[C@H]([C@H](O1)[C@@H](O2)N3C=CC(=NC3=O)N)O
InChI
InChI=1S/C9H11N3O4/c10-5-1-2-12(9(14)11-5)8-7-6(13)4(16-8)3-15-7/h1-2,4,6-8,13H,3H2,(H2,10,11,14)/t4-,6-,7+,8-/m1/s1
InChIKey
KFZNTIYBDGWGGU-CCXZUQQUSA-N
Compound name
4-amino-1-[(1R,3R,4S,7R)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.07495 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.082226 144.4
[M+Na]+ 248.064168 154.0
[M-H]- 224.067674 148.5
[M+NH4]+ 243.108773 161.5
[M+K]+ 264.038108 153.5
[M+H-H2O]+ 208.072210 138.7
[M+HCOO]- 270.073151 162.6
[M+CH3COO]- 284.088801 157.3
[M+Na-2H]- 246.049616 148.4
[M]+ 225.07440142 145.3
[M]- 225.07549858 145.3
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.