CID 3021391

Brn 4496854

Structural Information

Molecular Formula
C16H10Cl2N2O
SMILES
C1=CC=C(C=C1)C2=NC=CC(=O)N2C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C16H10Cl2N2O/c17-12-7-4-8-13(18)15(12)20-14(21)9-10-19-16(20)11-5-2-1-3-6-11/h1-10H
InChIKey
PXEKUYOMJRZTGC-UHFFFAOYSA-N
Compound name
3-(2,6-dichlorophenyl)-2-phenylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.01703 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.02431 167.3
[M+Na]+ 339.00625 179.2
[M-H]- 315.00975 173.9
[M+NH4]+ 334.05085 180.3
[M+K]+ 354.98019 171.1
[M+H-H2O]+ 299.01429 157.8
[M+HCOO]- 361.01523 179.8
[M+CH3COO]- 375.03088 178.9
[M+Na-2H]- 336.99170 172.3
[M]+ 316.01648 171.0
[M]- 316.01758 171.0
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.