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]+ 236.058516 148.4
[M+Na]+ 258.040458 159.2
[M-H]- 234.043964 153.0
[M+NH4]+ 253.085063 164.3
[M+K]+ 274.014398 153.7
[M+H-H2O]+ 218.048500 140.3
[M+HCOO]- 280.049441 167.8
[M+CH3COO]- 294.065091 191.7
[M+Na-2H]- 256.025906 155.8
[M]+ 235.05069142 150.6
[M]- 235.05178858 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

literature stripe

Patent stripe

patents stripe