CID 273579

28485-19-0

Structural Information

Molecular Formula
C11H11N3O2
SMILES
C1=CC=C(C=C1)CNC2=CNC(=O)NC2=O
InChI
InChI=1S/C11H11N3O2/c15-10-9(7-13-11(16)14-10)12-6-8-4-2-1-3-5-8/h1-5,7,12H,6H2,(H2,13,14,15,16)
InChIKey
PBRBBWKUUQNONR-UHFFFAOYSA-N
Compound name
5-(benzylamino)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

5
Patents

217.08513 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.092406 145.2
[M+Na]+ 240.074348 153.8
[M-H]- 216.077854 147.1
[M+NH4]+ 235.118953 159.2
[M+K]+ 256.048288 148.1
[M+H-H2O]+ 200.082390 137.0
[M+HCOO]- 262.083331 166.8
[M+CH3COO]- 276.098981 183.3
[M+Na-2H]- 238.059796 153.1
[M]+ 217.08458142 142.1
[M]- 217.08567858 142.1
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