CID 482099

Chembl338931

Structural Information

Molecular Formula
C8H10N2O4Se
SMILES
C1[C@@H](O[C@@H]([Se]1)CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C8H10N2O4Se/c11-3-7-14-6(4-15-7)10-2-1-5(12)9-8(10)13/h1-2,6-7,11H,3-4H2,(H,9,12,13)/t6-,7+/m1/s1
InChIKey
BLFSVESMBDOZCE-RQJHMYQMSA-N
Compound name
1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxaselenolan-5-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.9806 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.98788 154.3
[M+Na]+ 300.96982 162.7
[M-H]- 276.97332 156.4
[M+NH4]+ 296.01442 168.8
[M+K]+ 316.94376 160.0
[M+H-H2O]+ 260.97786 146.5
[M+HCOO]- 322.97880 172.1
[M+CH3COO]- 336.99445 180.7
[M+Na-2H]- 298.95527 156.8
[M]+ 277.98005 153.0
[M]- 277.98115 153.0
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.