CID 16728567

1-[(2r,5s)-4-(3-fluorophenyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C15H13FN2O4
SMILES
C1=CC(=CC(=C1)F)C2=C[C@@H](O[C@@H]2CO)N3C=CC(=O)NC3=O
InChI
InChI=1S/C15H13FN2O4/c16-10-3-1-2-9(6-10)11-7-14(22-12(11)8-19)18-5-4-13(20)17-15(18)21/h1-7,12,14,19H,8H2,(H,17,20,21)/t12-,14-/m1/s1
InChIKey
QPEBRJFYJPPWJO-TZMCWYRMSA-N
Compound name
1-[(2R,5S)-4-(3-fluorophenyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.08594 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09322 165.5
[M+Na]+ 327.07516 175.8
[M-H]- 303.07866 170.7
[M+NH4]+ 322.11976 176.9
[M+K]+ 343.04910 171.0
[M+H-H2O]+ 287.08320 156.0
[M+HCOO]- 349.08414 183.6
[M+CH3COO]- 363.09979 176.8
[M+Na-2H]- 325.06061 167.1
[M]+ 304.08539 164.9
[M]- 304.08649 164.9
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.