CID 2378521

5-acetyl-6-amino-1-benzylpyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C13H13N3O3
SMILES
CC(=O)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N
InChI
InChI=1S/C13H13N3O3/c1-8(17)10-11(14)16(13(19)15-12(10)18)7-9-5-3-2-4-6-9/h2-6H,7,14H2,1H3,(H,15,18,19)
InChIKey
OWYAXMSHYAJPHE-UHFFFAOYSA-N
Compound name
5-acetyl-6-amino-1-benzylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0957 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.102976 156.9
[M+Na]+ 282.084918 166.7
[M-H]- 258.088424 160.2
[M+NH4]+ 277.129523 170.0
[M+K]+ 298.058858 161.7
[M+H-H2O]+ 242.092960 148.4
[M+HCOO]- 304.093901 177.9
[M+CH3COO]- 318.109551 196.0
[M+Na-2H]- 280.070366 160.3
[M]+ 259.09515142 156.2
[M]- 259.09624858 156.2
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.