CID 6481286

Chembl93621

Structural Information

Molecular Formula
C26H19Cl2N3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CNC=C3C(C4=C(C=C(C=C4)Cl)Cl)N5C=CN=C5
InChI
InChI=1S/C26H19Cl2N3/c27-21-10-11-22(25(28)14-21)26(31-13-12-29-17-31)24-16-30-15-23(24)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17,26,30H
InChIKey
GGBXYXPRVQOMBV-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)-[4-(4-phenylphenyl)-1H-pyrrol-3-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

443.0956 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.10288 205.1
[M+Na]+ 466.08482 214.6
[M-H]- 442.08832 215.2
[M+NH4]+ 461.12942 213.4
[M+K]+ 482.05876 203.7
[M+H-H2O]+ 426.09286 192.5
[M+HCOO]- 488.09380 215.2
[M+CH3COO]- 502.10945 213.4
[M+Na-2H]- 464.07027 202.3
[M]+ 443.09505 207.8
[M]- 443.09615 207.8
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.