CID 9844960

K-832

Structural Information

Molecular Formula
C24H19ClN2OS
SMILES
CSC1=CC=C(C=C1)C2=NN(C(=O)C=C2C3=CC=C(C=C3)Cl)CC4=CC=CC=C4
InChI
InChI=1S/C24H19ClN2OS/c1-29-21-13-9-19(10-14-21)24-22(18-7-11-20(25)12-8-18)15-23(28)27(26-24)16-17-5-3-2-4-6-17/h2-15H,16H2,1H3
InChIKey
HEUAVAATAFEENP-UHFFFAOYSA-N
Compound name
2-benzyl-5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

117
Patents

418.09067 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.09795 199.7
[M+Na]+ 441.07989 220.8
[M+NH4]+ 436.12449 209.1
[M+K]+ 457.05383 206.5
[M-H]- 417.08339 209.3
[M+Na-2H]- 439.06534 213.5
[M]+ 418.09012 206.8
[M]- 418.09122 206.8
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