CID 6477210

4-amino-1-[(2s,3s)-2,3-bis(hydroxymethyl)azetidin-1-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C9H14N4O3
SMILES
C1[C@@H]([C@H](N1N2C=CC(=NC2=O)N)CO)CO
InChI
InChI=1S/C9H14N4O3/c10-8-1-2-12(9(16)11-8)13-3-6(4-14)7(13)5-15/h1-2,6-7,14-15H,3-5H2,(H2,10,11,16)/t6-,7-/m1/s1
InChIKey
ABZPCFKWSFLCSF-RNFRBKRXSA-N
Compound name
4-amino-1-[(2S,3S)-2,3-bis(hydroxymethyl)azetidin-1-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.1066 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.113876 152.8
[M+Na]+ 249.095818 159.9
[M-H]- 225.099324 152.6
[M+NH4]+ 244.140423 158.9
[M+K]+ 265.069758 159.6
[M+H-H2O]+ 209.103860 138.6
[M+HCOO]- 271.104801 169.3
[M+CH3COO]- 285.120451 190.7
[M+Na-2H]- 247.081266 155.3
[M]+ 226.10605142 159.3
[M]- 226.10714858 159.3
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.