CID 16728563

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

Structural Information

Molecular Formula
C15H14N2O4
SMILES
C1=CC=C(C=C1)C2=C[C@@H](O[C@@H]2CO)N3C=CC(=O)NC3=O
InChI
InChI=1S/C15H14N2O4/c18-9-12-11(10-4-2-1-3-5-10)8-14(21-12)17-7-6-13(19)16-15(17)20/h1-8,12,14,18H,9H2,(H,16,19,20)/t12-,14-/m1/s1
InChIKey
AIQBKDOSMBYBNI-TZMCWYRMSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-4-phenyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.09537 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.102646 162.3
[M+Na]+ 309.084588 171.7
[M-H]- 285.088094 168.5
[M+NH4]+ 304.129193 174.3
[M+K]+ 325.058528 167.4
[M+H-H2O]+ 269.092630 153.7
[M+HCOO]- 331.093571 181.6
[M+CH3COO]- 345.109221 173.9
[M+Na-2H]- 307.070036 165.3
[M]+ 286.09482142 162.3
[M]- 286.09591858 162.3
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.