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]+ 224.10297 147.1
[M+Na]+ 246.08491 156.3
[M-H]- 222.08841 149.2
[M+NH4]+ 241.12951 163.0
[M+K]+ 262.05885 152.3
[M+H-H2O]+ 206.09295 139.7
[M+HCOO]- 268.09389 167.7
[M+CH3COO]- 282.10954 185.3
[M+Na-2H]- 244.07036 149.4
[M]+ 223.09514 144.9
[M]- 223.09624 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.