CID 211528

23338-41-2

Structural Information

Molecular Formula
C22H16ClN3O
SMILES
C1=CC=C(C=C1)C2=NN(C(=O)C(=C2)C3=CC(=CC=C3)Cl)CC4=CC=NC=C4
InChI
InChI=1S/C22H16ClN3O/c23-19-8-4-7-18(13-19)20-14-21(17-5-2-1-3-6-17)25-26(22(20)27)15-16-9-11-24-12-10-16/h1-14H,15H2
InChIKey
OLULWABCMGZANK-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-6-phenyl-2-(pyridin-4-ylmethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.09818 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.10546 189.8
[M+Na]+ 396.08740 199.8
[M-H]- 372.09090 198.1
[M+NH4]+ 391.13200 197.6
[M+K]+ 412.06134 190.4
[M+H-H2O]+ 356.09544 176.6
[M+HCOO]- 418.09638 204.8
[M+CH3COO]- 432.11203 199.3
[M+Na-2H]- 394.07285 194.6
[M]+ 373.09763 191.6
[M]- 373.09873 191.6
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.