CID 3012925

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole

Structural Information

Molecular Formula
C25H17Cl3N4
SMILES
C1=CC=C(C=C1)C(C2=C(N(N=C2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl)N5C=CN=C5
InChI
InChI=1S/C25H17Cl3N4/c26-19-8-6-18(7-9-19)25-21(15-30-32(25)23-11-10-20(27)14-22(23)28)24(31-13-12-29-16-31)17-4-2-1-3-5-17/h1-16,24H
InChIKey
MFUNZHMAQOAELJ-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

478.05188 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.05916 210.2
[M+Na]+ 501.04110 220.8
[M-H]- 477.04460 218.9
[M+NH4]+ 496.08570 216.7
[M+K]+ 517.01504 210.9
[M+H-H2O]+ 461.04914 195.9
[M+HCOO]- 523.05008 214.8
[M+CH3COO]- 537.06573 217.7
[M+Na-2H]- 499.02655 206.2
[M]+ 478.05133 215.1
[M]- 478.05243 215.1
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

No patent data available for this compound.