CID 2345553

4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C10H8Cl2N4O
SMILES
CC1=CC(=NC(=N1)N2C(=O)C(=C(C=N2)Cl)Cl)C
InChI
InChI=1S/C10H8Cl2N4O/c1-5-3-6(2)15-10(14-5)16-9(17)8(12)7(11)4-13-16/h3-4H,1-2H3
InChIKey
SPGYQDHYLWCELS-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

270.0075 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.014776 153.5
[M+Na]+ 292.996718 167.4
[M-H]- 269.000224 155.1
[M+NH4]+ 288.041323 166.4
[M+K]+ 308.970658 160.9
[M+H-H2O]+ 253.004760 144.6
[M+HCOO]- 315.005701 163.9
[M+CH3COO]- 329.021351 165.6
[M+Na-2H]- 290.982166 158.6
[M]+ 270.00695142 158.3
[M]- 270.00804858 158.3
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.