CID 799443

6-amino-1-p-tolyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H11N3O2
SMILES
CC1=CC=C(C=C1)N2C(=CC(=O)NC2=O)N
InChI
InChI=1S/C11H11N3O2/c1-7-2-4-8(5-3-7)14-9(12)6-10(15)13-11(14)16/h2-6H,12H2,1H3,(H,13,15,16)
InChIKey
ADBPZIJJFVHORX-UHFFFAOYSA-N
Compound name
6-amino-1-(4-methylphenyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

217.08513 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 146.2
[M+Na]+ 240.07435 157.1
[M-H]- 216.07785 149.8
[M+NH4]+ 235.11895 161.3
[M+K]+ 256.04829 152.0
[M+H-H2O]+ 200.08239 138.2
[M+HCOO]- 262.08333 168.6
[M+CH3COO]- 276.09898 187.6
[M+Na-2H]- 238.05980 151.8
[M]+ 217.08458 144.7
[M]- 217.08568 144.7
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

No patent data available for this compound.