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

literature stripe

Patent stripe

patents stripe