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]+ 287.10265 162.3
[M+Na]+ 309.08459 171.7
[M-H]- 285.08809 168.5
[M+NH4]+ 304.12919 174.3
[M+K]+ 325.05853 167.4
[M+H-H2O]+ 269.09263 153.7
[M+HCOO]- 331.09357 181.6
[M+CH3COO]- 345.10922 173.9
[M+Na-2H]- 307.07004 165.3
[M]+ 286.09482 162.3
[M]- 286.09592 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.