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]+ 461.12944 212.0
[M+Na]+ 483.11138 219.1
[M-H]- 459.11488 219.2
[M+NH4]+ 478.15598 214.6
[M+K]+ 499.08532 208.2
[M+H-H2O]+ 443.11942 195.6
[M+HCOO]- 505.12036 215.4
[M+CH3COO]- 519.13601 217.5
[M+Na-2H]- 481.09683 212.2
[M]+ 460.12161 209.8
[M]- 460.12271 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.