CID 6481250

Chembl194106

Structural Information

Molecular Formula
C23H20Cl3N3
SMILES
CCCN1C=C(C(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3C=CN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H20Cl3N3/c1-2-10-28-13-20(16-3-5-17(24)6-4-16)21(14-28)23(29-11-9-27-15-29)19-8-7-18(25)12-22(19)26/h3-9,11-15,23H,2,10H2,1H3
InChIKey
GOIJKKQZIHTWJK-UHFFFAOYSA-N
Compound name
1-[[4-(4-chlorophenyl)-1-propylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

443.0723 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.07958 204.8
[M+Na]+ 466.06152 215.5
[M-H]- 442.06502 212.0
[M+NH4]+ 461.10612 214.8
[M+K]+ 482.03546 206.0
[M+H-H2O]+ 426.06956 193.0
[M+HCOO]- 488.07050 210.6
[M+CH3COO]- 502.08615 213.3
[M+Na-2H]- 464.04697 200.0
[M]+ 443.07175 211.0
[M]- 443.07285 211.0
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.