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]+ 226.11862 148.7
[M+Na]+ 248.10056 156.8
[M-H]- 224.10406 150.4
[M+NH4]+ 243.14516 164.4
[M+K]+ 264.07450 153.1
[M+H-H2O]+ 208.10860 141.3
[M+HCOO]- 270.10954 167.8
[M+CH3COO]- 284.12519 185.7
[M+Na-2H]- 246.08601 150.0
[M]+ 225.11079 145.1
[M]- 225.11189 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.