CID 236211

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

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CC1=C(C(=O)NC(=O)N1)CC2=CC=CC=C2
InChI
InChI=1S/C12H12N2O2/c1-8-10(11(15)14-12(16)13-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,13,14,15,16)
InChIKey
GRUQJQSTHUDUKU-UHFFFAOYSA-N
Compound name
5-benzyl-6-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
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

literature stripe

Patent stripe

patents stripe