CID 3000758

4-amino-1-[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one

Structural Information

Molecular Formula
C10H15N3O3
SMILES
C1[C@H](C[C@@H]([C@H]1CO)O)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H15N3O3/c11-9-1-2-13(10(16)12-9)7-3-6(5-14)8(15)4-7/h1-2,6-8,14-15H,3-5H2,(H2,11,12,16)/t6-,7-,8+/m1/s1
InChIKey
UCPUAZNKALGFIV-PRJMDXOYSA-N
Compound name
4-amino-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

225.11134 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.118616 148.7
[M+Na]+ 248.100558 156.8
[M-H]- 224.104064 150.4
[M+NH4]+ 243.145163 164.4
[M+K]+ 264.074498 153.1
[M+H-H2O]+ 208.108600 141.3
[M+HCOO]- 270.109541 167.8
[M+CH3COO]- 284.125191 185.7
[M+Na-2H]- 246.086006 150.0
[M]+ 225.11079142 145.1
[M]- 225.11188858 145.1
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.