CID 482100

Chembl125918

Structural Information

Molecular Formula
C9H12N2O4Se
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[Se][C@H](O2)CO
InChI
InChI=1S/C9H12N2O4Se/c1-5-2-11(9(14)10-8(5)13)6-4-16-7(3-12)15-6/h2,6-7,12H,3-4H2,1H3,(H,10,13,14)/t6-,7+/m1/s1
InChIKey
MEGJPXKFAYUQTO-RQJHMYQMSA-N
Compound name
1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxaselenolan-5-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.99622 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.00350 159.0
[M+Na]+ 314.98544 167.8
[M-H]- 290.98894 161.3
[M+NH4]+ 310.03004 173.3
[M+K]+ 330.95938 165.0
[M+H-H2O]+ 274.99348 151.3
[M+HCOO]- 336.99442 176.4
[M+CH3COO]- 351.01007 185.0
[M+Na-2H]- 312.97089 160.3
[M]+ 291.99567 158.4
[M]- 291.99677 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.