CID 6481249

Chembl328653

Structural Information

Molecular Formula
C22H18Cl3N3
SMILES
CCN1C=C(C(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3C=CN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H18Cl3N3/c1-2-27-12-19(15-3-5-16(23)6-4-15)20(13-27)22(28-10-9-26-14-28)18-8-7-17(24)11-21(18)25/h3-14,22H,2H2,1H3
InChIKey
OFUNZKRKGDGTFJ-UHFFFAOYSA-N
Compound name
1-[[4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

429.05664 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.06392 200.5
[M+Na]+ 452.04586 211.7
[M-H]- 428.04936 207.9
[M+NH4]+ 447.09046 211.1
[M+K]+ 468.01980 202.3
[M+H-H2O]+ 412.05390 188.9
[M+HCOO]- 474.05484 206.6
[M+CH3COO]- 488.07049 209.4
[M+Na-2H]- 450.03131 196.2
[M]+ 429.05609 206.4
[M]- 429.05719 206.4
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.