CID 6410710

Pyridazine, 6-(4-chlorophenyl)-3-(4-(3-chlorophenyl)-1-piperazinyl)-4-phenyl-

Structural Information

Molecular Formula
C26H22Cl2N4
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NN=C(C=C3C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C26H22Cl2N4/c27-21-11-9-20(10-12-21)25-18-24(19-5-2-1-3-6-19)26(30-29-25)32-15-13-31(14-16-32)23-8-4-7-22(28)17-23/h1-12,17-18H,13-16H2
InChIKey
SQXPSXYVKGWEJZ-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-4-phenylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.12216 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.129436 212.0
[M+Na]+ 483.111378 219.1
[M-H]- 459.114884 219.2
[M+NH4]+ 478.155983 214.6
[M+K]+ 499.085318 208.2
[M+H-H2O]+ 443.119420 195.6
[M+HCOO]- 505.120361 215.4
[M+CH3COO]- 519.136011 217.5
[M+Na-2H]- 481.096826 212.2
[M]+ 460.12161142 209.8
[M]- 460.12270858 209.8
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.