CID 1516848

1-[(2s)-2,3-dihydroxypropyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C7H10N2O4
SMILES
C1=CN(C(=O)NC1=O)C[C@@H](CO)O
InChI
InChI=1S/C7H10N2O4/c10-4-5(11)3-9-2-1-6(12)8-7(9)13/h1-2,5,10-11H,3-4H2,(H,8,12,13)/t5-/m0/s1
InChIKey
UPONUIQDSKBZHK-YFKPBYRVSA-N
Compound name
1-[(2S)-2,3-dihydroxypropyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

186.06406 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07134 136.0
[M+Na]+ 209.05328 144.9
[M-H]- 185.05678 133.5
[M+NH4]+ 204.09788 151.1
[M+K]+ 225.02722 141.8
[M+H-H2O]+ 169.06132 129.5
[M+HCOO]- 231.06226 154.3
[M+CH3COO]- 245.07791 173.1
[M+Na-2H]- 207.03873 141.1
[M]+ 186.06351 135.0
[M]- 186.06461 135.0
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.