CID 475258

4-amino-1-[2-(2-hydroxyethyl)-tetrahydro-furan-3-yl]-1h-pyrimidin-2-one

Structural Information

Molecular Formula
C10H15N3O3
SMILES
C1CO[C@@H]([C@@H]1N2C=CC(=NC2=O)N)CCO
InChI
InChI=1S/C10H15N3O3/c11-9-1-4-13(10(15)12-9)7-3-6-16-8(7)2-5-14/h1,4,7-8,14H,2-3,5-6H2,(H2,11,12,15)/t7-,8-/m1/s1
InChIKey
HCFAMZVPPRZJRE-HTQZYQBOSA-N
Compound name
4-amino-1-[(2R,3R)-2-(2-hydroxyethyl)oxolan-3-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

225.11134 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.118616 148.7
[M+Na]+ 248.100558 156.5
[M-H]- 224.104064 152.0
[M+NH4]+ 243.145163 163.6
[M+K]+ 264.074498 154.5
[M+H-H2O]+ 208.108600 140.8
[M+HCOO]- 270.109541 168.5
[M+CH3COO]- 284.125191 186.9
[M+Na-2H]- 246.086006 151.9
[M]+ 225.11079142 147.2
[M]- 225.11188858 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.