CID 237953

6306-73-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
References

43
Patents

216.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 145.3
[M+Na]+ 239.079088 155.8
[M-H]- 215.082594 148.9
[M+NH4]+ 234.123693 160.8
[M+K]+ 255.053028 150.8
[M+H-H2O]+ 199.087130 137.2
[M+HCOO]- 261.088071 167.0
[M+CH3COO]- 275.103721 184.9
[M+Na-2H]- 237.064536 151.9
[M]+ 216.08932142 145.5
[M]- 216.09041858 145.5
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