CID 15957694

Chembl3250914

Structural Information

Molecular Formula
C8H12N2O5
SMILES
C1=CN(C(=O)NC1=O)C[C@H]([C@@H](CO)O)O
InChI
InChI=1S/C8H12N2O5/c11-4-6(13)5(12)3-10-2-1-7(14)9-8(10)15/h1-2,5-6,11-13H,3-4H2,(H,9,14,15)/t5-,6-/m1/s1
InChIKey
LDUAJYDZWKGQKY-PHDIDXHHSA-N
Compound name
1-[(2R,3R)-2,3,4-trihydroxybutyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

216.07462 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08190 143.6
[M+Na]+ 239.06384 151.2
[M-H]- 215.06734 139.7
[M+NH4]+ 234.10844 156.6
[M+K]+ 255.03778 148.2
[M+H-H2O]+ 199.07188 137.0
[M+HCOO]- 261.07282 159.2
[M+CH3COO]- 275.08847 177.1
[M+Na-2H]- 237.04929 146.5
[M]+ 216.07407 142.0
[M]- 216.07517 142.0
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.