CID 3012924

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

Structural Information

Molecular Formula
C25H18Cl2N4
SMILES
C1=CC=C(C=C1)C(C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)N5C=CN=C5
InChI
InChI=1S/C25H18Cl2N4/c26-20-8-6-19(7-9-20)25-23(16-29-31(25)22-12-10-21(27)11-13-22)24(30-15-14-28-17-30)18-4-2-1-3-5-18/h1-17,24H
InChIKey
GWNDBEDJFYKDKG-UHFFFAOYSA-N
Compound name
1,5-bis(4-chlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

444.09085 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.09813 204.2
[M+Na]+ 467.08007 214.4
[M-H]- 443.08357 214.3
[M+NH4]+ 462.12467 211.7
[M+K]+ 483.05401 204.3
[M+H-H2O]+ 427.08811 190.2
[M+HCOO]- 489.08905 214.5
[M+CH3COO]- 503.10470 212.8
[M+Na-2H]- 465.06552 202.1
[M]+ 444.09030 208.4
[M]- 444.09140 208.4
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.