CID 16728565

1-[(2r,5s)-4-allyl-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H14N2O4
SMILES
C=CCC1=C[C@@H](O[C@@H]1CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C12H14N2O4/c1-2-3-8-6-11(18-9(8)7-15)14-5-4-10(16)13-12(14)17/h2,4-6,9,11,15H,1,3,7H2,(H,13,16,17)/t9-,11-/m1/s1
InChIKey
GQROEKUWDGWYOR-MWLCHTKSSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.09535 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10263 153.4
[M+Na]+ 273.08457 163.2
[M-H]- 249.08807 156.3
[M+NH4]+ 268.12917 167.4
[M+K]+ 289.05851 159.4
[M+H-H2O]+ 233.09261 146.1
[M+HCOO]- 295.09355 172.6
[M+CH3COO]- 309.10920 187.6
[M+Na-2H]- 271.07002 155.9
[M]+ 250.09480 154.3
[M]- 250.09590 154.3
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.