CID 5276664

Chembl190145

Structural Information

Molecular Formula
C12H11ClN2O2
SMILES
CC1=CN(C(=O)NC1=O)CC2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H11ClN2O2/c1-8-6-15(12(17)14-11(8)16)7-9-3-2-4-10(13)5-9/h2-6H,7H2,1H3,(H,14,16,17)
InChIKey
SDWSLKWSMQEOER-UHFFFAOYSA-N
Compound name
1-[(3-chlorophenyl)methyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

250.0509 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05818 150.8
[M+Na]+ 273.04012 162.8
[M-H]- 249.04362 154.4
[M+NH4]+ 268.08472 166.0
[M+K]+ 289.01406 156.3
[M+H-H2O]+ 233.04816 143.3
[M+HCOO]- 295.04910 167.7
[M+CH3COO]- 309.06475 189.9
[M+Na-2H]- 271.02557 156.1
[M]+ 250.05035 153.4
[M]- 250.05145 153.4
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.