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]+ 260.10298 156.9
[M+Na]+ 282.08492 166.7
[M-H]- 258.08842 160.2
[M+NH4]+ 277.12952 170.0
[M+K]+ 298.05886 161.7
[M+H-H2O]+ 242.09296 148.4
[M+HCOO]- 304.09390 177.9
[M+CH3COO]- 318.10955 196.0
[M+Na-2H]- 280.07037 160.3
[M]+ 259.09515 156.2
[M]- 259.09625 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.