CID 6481251

Chembl365572

Structural Information

Molecular Formula
C23H18Cl3N3
SMILES
C=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/C23H18Cl3N3/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/h2-9,11-15,23H,1,10H2
InChIKey
VVMFLLNLNDQQEU-UHFFFAOYSA-N
Compound name
1-[[4-(4-chlorophenyl)-1-prop-2-enylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

441.05664 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.06392 204.9
[M+Na]+ 464.04586 215.8
[M-H]- 440.04936 212.1
[M+NH4]+ 459.09046 214.8
[M+K]+ 480.01980 205.7
[M+H-H2O]+ 424.05390 193.1
[M+HCOO]- 486.05484 210.8
[M+CH3COO]- 500.07049 213.3
[M+Na-2H]- 462.03131 200.0
[M]+ 441.05609 210.4
[M]- 441.05719 210.4
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.