CID 6481254

Chembl371619

Structural Information

Molecular Formula
C21H15Cl4N3
SMILES
CN1C=C(C(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C21H15Cl4N3/c1-27-10-17(15-4-2-13(22)8-19(15)24)18(11-27)21(28-7-6-26-12-28)16-5-3-14(23)9-20(16)25/h2-12,21H,1H3
InChIKey
WSUYIJLFIMCFOX-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

449.002 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.00928 202.5
[M+Na]+ 471.99122 214.0
[M-H]- 447.99472 208.1
[M+NH4]+ 467.03582 212.1
[M+K]+ 487.96516 205.3
[M+H-H2O]+ 431.99926 191.1
[M+HCOO]- 494.00020 203.1
[M+CH3COO]- 508.01585 210.4
[M+Na-2H]- 469.97667 196.7
[M]+ 449.00145 207.6
[M]- 449.00255 207.6
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.