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]+ 319.03993 169.6
[M+Na]+ 341.02187 179.1
[M-H]- 317.02537 174.3
[M+NH4]+ 336.06647 181.7
[M+K]+ 356.99581 170.6
[M+H-H2O]+ 301.02991 160.6
[M+HCOO]- 363.03085 178.0
[M+CH3COO]- 377.04650 179.6
[M+Na-2H]- 339.00732 172.3
[M]+ 318.03210 168.7
[M]- 318.03320 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.