CID 497657

1-[(2r,4s)-4-hydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H12N2O5
SMILES
C1[C@@H](OC[C@]1(CO)O)N2C=CC(=O)NC2=O
InChI
InChI=1S/C9H12N2O5/c12-4-9(15)3-7(16-5-9)11-2-1-6(13)10-8(11)14/h1-2,7,12,15H,3-5H2,(H,10,13,14)/t7-,9+/m1/s1
InChIKey
NITDOLMRFJWLQM-APPZFPTMSA-N
Compound name
1-[(2R,4S)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.07462 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08190 144.5
[M+Na]+ 251.06384 153.7
[M-H]- 227.06734 146.1
[M+NH4]+ 246.10844 160.3
[M+K]+ 267.03778 151.5
[M+H-H2O]+ 211.07188 138.3
[M+HCOO]- 273.07282 161.7
[M+CH3COO]- 287.08847 178.0
[M+Na-2H]- 249.04929 149.4
[M]+ 228.07407 143.3
[M]- 228.07517 143.3
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.