CID 209862

20630-50-6

Structural Information

Molecular Formula
C9H13Cl2N3O
SMILES
CN(C)CCCN1C(=O)C(=C(C=N1)Cl)Cl
InChI
InChI=1S/C9H13Cl2N3O/c1-13(2)4-3-5-14-9(15)8(11)7(10)6-12-14/h6H,3-5H2,1-2H3
InChIKey
FASAMOKXYMZXOR-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-[3-(dimethylamino)propyl]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.04356 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.05084 149.7
[M+Na]+ 272.03278 160.4
[M-H]- 248.03628 151.7
[M+NH4]+ 267.07738 166.6
[M+K]+ 288.00672 156.2
[M+H-H2O]+ 232.04082 143.3
[M+HCOO]- 294.04176 163.7
[M+CH3COO]- 308.05741 197.9
[M+Na-2H]- 270.01823 154.1
[M]+ 249.04301 155.7
[M]- 249.04411 155.7
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.