CID 3012934

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

Structural Information

Molecular Formula
C25H19ClN4
SMILES
C1=CC=C(C=C1)C2=C(C=NN2C3=CC=C(C=C3)Cl)C(C4=CC=CC=C4)N5C=CN=C5
InChI
InChI=1S/C25H19ClN4/c26-21-11-13-22(14-12-21)30-25(20-9-5-2-6-10-20)23(17-28-30)24(29-16-15-27-18-29)19-7-3-1-4-8-19/h1-18,24H
InChIKey
UYANWUXPJQIBQD-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.12982 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.13710 197.1
[M+Na]+ 433.11904 206.2
[M-H]- 409.12254 208.0
[M+NH4]+ 428.16364 205.1
[M+K]+ 449.09298 196.7
[M+H-H2O]+ 393.12708 183.4
[M+HCOO]- 455.12802 212.7
[M+CH3COO]- 469.14367 206.3
[M+Na-2H]- 431.10449 196.7
[M]+ 410.12927 199.5
[M]- 410.13037 199.5
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.