CID 455698

6-benzyl-5-methylpyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CC1=C(NC(=O)NC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C12H12N2O2/c1-8-10(13-12(16)14-11(8)15)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,13,14,15,16)
InChIKey
JKIVVHQUQAFAMU-UHFFFAOYSA-N
Compound name
6-benzyl-5-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

216.08987 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 146.1
[M+Na]+ 239.07909 156.1
[M-H]- 215.08259 148.3
[M+NH4]+ 234.12369 160.9
[M+K]+ 255.05303 150.3
[M+H-H2O]+ 199.08713 138.3
[M+HCOO]- 261.08807 166.3
[M+CH3COO]- 275.10372 182.4
[M+Na-2H]- 237.06454 152.2
[M]+ 216.08932 144.4
[M]- 216.09042 144.4
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.