CID 74335

4-chloro-5-(methylamino)-2-phenyl-3(2h)-pyridazinone

Structural Information

Molecular Formula
C11H10ClN3O
SMILES
CNC1=C(C(=O)N(N=C1)C2=CC=CC=C2)Cl
InChI
InChI=1S/C11H10ClN3O/c1-13-9-7-14-15(11(16)10(9)12)8-5-3-2-4-6-8/h2-7,13H,1H3
InChIKey
PVAJKGQADFDSFN-UHFFFAOYSA-N
Compound name
4-chloro-5-(methylamino)-2-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

235.05124 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05852 148.4
[M+Na]+ 258.04046 159.2
[M-H]- 234.04396 153.0
[M+NH4]+ 253.08506 164.3
[M+K]+ 274.01440 153.7
[M+H-H2O]+ 218.04850 140.3
[M+HCOO]- 280.04944 167.8
[M+CH3COO]- 294.06509 191.7
[M+Na-2H]- 256.02591 155.8
[M]+ 235.05069 150.6
[M]- 235.05179 150.6
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.