CID 467472

4-amino-1-[(2s,5r)-2-(hydroxymethyl)-1,3-oxaselenolan-5-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C8H11N3O3Se
SMILES
C1[C@@H](O[C@@H]([Se]1)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C8H11N3O3Se/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m1/s1
InChIKey
KMWPAEJQUCVVGC-RQJHMYQMSA-N
Compound name
4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxaselenolan-5-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

276.99655 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.00383 156.2
[M+Na]+ 299.98577 163.9
[M-H]- 275.98927 159.1
[M+NH4]+ 295.03037 171.0
[M+K]+ 315.95971 161.8
[M+H-H2O]+ 259.99381 147.8
[M+HCOO]- 321.99475 175.6
[M+CH3COO]- 336.01040 186.1
[M+Na-2H]- 297.97122 158.6
[M]+ 276.99600 154.3
[M]- 276.99710 154.3
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.