CID 16072546

4-amino-1-[(1r,2r)-2-hydroxy-4-(hydroxymethyl)cyclopent-3-en-1-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C10H13N3O3
SMILES
C1[C@H]([C@@H](C=C1CO)O)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H13N3O3/c11-9-1-2-13(10(16)12-9)7-3-6(5-14)4-8(7)15/h1-2,4,7-8,14-15H,3,5H2,(H2,11,12,16)/t7-,8-/m1/s1
InChIKey
NEXKHMHWPCKNLK-HTQZYQBOSA-N
Compound name
4-amino-1-[(1R,2R)-2-hydroxy-4-(hydroxymethyl)cyclopent-3-en-1-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.09569 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.102966 147.1
[M+Na]+ 246.084908 156.3
[M-H]- 222.088414 149.2
[M+NH4]+ 241.129513 163.0
[M+K]+ 262.058848 152.3
[M+H-H2O]+ 206.092950 139.7
[M+HCOO]- 268.093891 167.7
[M+CH3COO]- 282.109541 185.3
[M+Na-2H]- 244.070356 149.4
[M]+ 223.09514142 144.9
[M]- 223.09623858 144.9
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.