CID 13114197

1-benzyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CN1C(=O)C=CN(C1=O)CC2=CC=CC=C2
InChI
InChI=1S/C12H12N2O2/c1-13-11(15)7-8-14(12(13)16)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey
OSKCTFCFDFVEQE-UHFFFAOYSA-N
Compound name
1-benzyl-3-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

216.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 144.5
[M+Na]+ 239.07909 155.4
[M-H]- 215.08259 149.5
[M+NH4]+ 234.12369 160.7
[M+K]+ 255.05303 151.4
[M+H-H2O]+ 199.08713 136.1
[M+HCOO]- 261.08807 167.7
[M+CH3COO]- 275.10372 187.4
[M+Na-2H]- 237.06454 151.6
[M]+ 216.08932 146.5
[M]- 216.09042 146.5
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