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
3
Annotation Hits

33
References

163
Patents

276.111 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 162.3
[M+Na]+ 299.10022 176.0
[M+NH4]+ 294.14482 167.7
[M+K]+ 315.07416 169.8
[M-H]- 275.10372 163.3
[M+Na-2H]- 297.08567 169.0
[M]+ 276.11045 164.3
[M]- 276.11155 164.3
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

patents stripe