CID 3071130

Brn 4512303

Structural Information

Molecular Formula
C17H12Cl2N2O
SMILES
CC1=NC(=CC(=O)N1C2=C(C=CC=C2Cl)Cl)C3=CC=CC=C3
InChI
InChI=1S/C17H12Cl2N2O/c1-11-20-15(12-6-3-2-4-7-12)10-16(22)21(11)17-13(18)8-5-9-14(17)19/h2-10H,1H3
InChIKey
LPWPCGBVIJVGLZ-UHFFFAOYSA-N
Compound name
3-(2,6-dichlorophenyl)-2-methyl-6-phenylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.03265 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03993 171.9
[M+Na]+ 353.02187 184.3
[M-H]- 329.02537 178.7
[M+NH4]+ 348.06647 184.6
[M+K]+ 368.99581 176.0
[M+H-H2O]+ 313.02991 162.4
[M+HCOO]- 375.03085 184.1
[M+CH3COO]- 389.04650 183.5
[M+Na-2H]- 351.00732 175.7
[M]+ 330.03210 176.3
[M]- 330.03320 176.3
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

No patent data available for this compound.