CID 16728570

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

Structural Information

Molecular Formula
C16H16N2O5
SMILES
COC1=CC=CC(=C1)C2=C[C@@H](O[C@@H]2CO)N3C=CC(=O)NC3=O
InChI
InChI=1S/C16H16N2O5/c1-22-11-4-2-3-10(7-11)12-8-15(23-13(12)9-19)18-6-5-14(20)17-16(18)21/h2-8,13,15,19H,9H2,1H3,(H,17,20,21)/t13-,15-/m1/s1
InChIKey
FUFVNDBTWQKHME-UKRRQHHQSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-4-(3-methoxyphenyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.10593 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11321 169.7
[M+Na]+ 339.09515 179.3
[M-H]- 315.09865 176.1
[M+NH4]+ 334.13975 180.6
[M+K]+ 355.06909 175.4
[M+H-H2O]+ 299.10319 160.9
[M+HCOO]- 361.10413 188.7
[M+CH3COO]- 375.11978 200.2
[M+Na-2H]- 337.08060 171.6
[M]+ 316.10538 171.9
[M]- 316.10648 171.9
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.