CID 16728564

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

Structural Information

Molecular Formula
C16H16N2O4
SMILES
C1=CC=C(C=C1)CC2=C[C@@H](O[C@@H]2CO)N3C=CC(=O)NC3=O
InChI
InChI=1S/C16H16N2O4/c19-10-13-12(8-11-4-2-1-3-5-11)9-15(22-13)18-7-6-14(20)17-16(18)21/h1-7,9,13,15,19H,8,10H2,(H,17,20,21)/t13-,15-/m1/s1
InChIKey
WMTVIBOVDWCBIQ-UKRRQHHQSA-N
Compound name
1-[(2R,5S)-4-benzyl-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

300.111 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11828 166.8
[M+Na]+ 323.10022 175.8
[M-H]- 299.10372 172.8
[M+NH4]+ 318.14482 178.2
[M+K]+ 339.07416 171.2
[M+H-H2O]+ 283.10826 157.9
[M+HCOO]- 345.10920 185.7
[M+CH3COO]- 359.12485 178.0
[M+Na-2H]- 321.08567 169.3
[M]+ 300.11045 167.1
[M]- 300.11155 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.