CID 5272148

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

Structural Information

Molecular Formula
C10H16N4O3
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=CC(=NC2=O)N)N)O)CO
InChI
InChI=1S/C10H16N4O3/c11-7-1-2-14(10(17)13-7)6-3-5(4-15)9(16)8(6)12/h1-2,5-6,8-9,15-16H,3-4,12H2,(H2,11,13,17)/t5-,6-,8+,9-/m1/s1
InChIKey
SYHCLWAQQJIUJE-MTSNSDSCSA-N
Compound name
4-amino-1-[(1R,2S,3R,4R)-2-amino-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.12224 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.129516 152.6
[M+Na]+ 263.111458 160.8
[M-H]- 239.114964 154.2
[M+NH4]+ 258.156063 167.4
[M+K]+ 279.085398 156.8
[M+H-H2O]+ 223.119500 145.1
[M+HCOO]- 285.120441 172.1
[M+CH3COO]- 299.136091 192.0
[M+Na-2H]- 261.096906 152.8
[M]+ 240.12169142 147.8
[M]- 240.12278858 147.8
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.