CID 138991364

6-(2-chlorophenyl)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrimidin-2-one

Structural Information

Molecular Formula
C16H12Cl2N2O
SMILES
C1C=C(NC(=O)N1C2=CC=C(C=C2)Cl)C3=CC=CC=C3Cl
InChI
InChI=1S/C16H12Cl2N2O/c17-11-5-7-12(8-6-11)20-10-9-15(19-16(20)21)13-3-1-2-4-14(13)18/h1-9H,10H2,(H,19,21)
InChIKey
PVFRXEUTOPJQTN-UHFFFAOYSA-N
Compound name
6-(2-chlorophenyl)-3-(4-chlorophenyl)-1,4-dihydropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.03265 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.039926 169.6
[M+Na]+ 341.021868 179.1
[M-H]- 317.025374 174.3
[M+NH4]+ 336.066473 181.7
[M+K]+ 356.995808 170.6
[M+H-H2O]+ 301.029910 160.6
[M+HCOO]- 363.030851 178.0
[M+CH3COO]- 377.046501 179.6
[M+Na-2H]- 339.007316 172.3
[M]+ 318.03210142 168.7
[M]- 318.03319858 168.7
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.