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]+ 271.01478 153.5
[M+Na]+ 292.99672 167.4
[M-H]- 269.00022 155.1
[M+NH4]+ 288.04132 166.4
[M+K]+ 308.97066 160.9
[M+H-H2O]+ 253.00476 144.6
[M+HCOO]- 315.00570 163.9
[M+CH3COO]- 329.02135 165.6
[M+Na-2H]- 290.98217 158.6
[M]+ 270.00695 158.3
[M]- 270.00805 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.