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]+ 226.11862 148.7
[M+Na]+ 248.10056 156.5
[M-H]- 224.10406 152.0
[M+NH4]+ 243.14516 163.6
[M+K]+ 264.07450 154.5
[M+H-H2O]+ 208.10860 140.8
[M+HCOO]- 270.10954 168.5
[M+CH3COO]- 284.12519 186.9
[M+Na-2H]- 246.08601 151.9
[M]+ 225.11079 147.2
[M]- 225.11189 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.