CID 54929

5-benzylacyclouridine

Structural Information

Molecular Formula
C14H16N2O4
SMILES
C1=CC=C(C=C1)CC2=CN(C(=O)NC2=O)COCCO
InChI
InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)
InChIKey
SPJAGILXQBHHSZ-UHFFFAOYSA-N
Compound name
5-benzyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

33
References

248
Patents

276.111 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.118276 160.8
[M+Na]+ 299.100218 169.4
[M-H]- 275.103724 162.5
[M+NH4]+ 294.144823 172.8
[M+K]+ 315.074158 164.5
[M+H-H2O]+ 259.108260 151.9
[M+HCOO]- 321.109201 180.6
[M+CH3COO]- 335.124851 192.8
[M+Na-2H]- 297.085666 165.8
[M]+ 276.11045142 162.6
[M]- 276.11154858 162.6
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

patents stripe