CID 6481256

Chembl190432

Structural Information

Molecular Formula
C23H19Cl4N3
SMILES
CCCN1C=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/C23H19Cl4N3/c1-2-8-29-12-19(17-5-3-15(24)10-21(17)26)20(13-29)23(30-9-7-28-14-30)18-6-4-16(25)11-22(18)27/h3-7,9-14,23H,2,8H2,1H3
InChIKey
DSDNTRYDVLPPQS-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-propylpyrrol-3-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

477.0333 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.04058 210.8
[M+Na]+ 500.02252 221.5
[M-H]- 476.02602 216.1
[M+NH4]+ 495.06712 219.4
[M+K]+ 515.99646 212.4
[M+H-H2O]+ 460.03056 198.9
[M+HCOO]- 522.03150 210.8
[M+CH3COO]- 536.04715 217.8
[M+Na-2H]- 498.00797 204.0
[M]+ 477.03275 216.4
[M]- 477.03385 216.4
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.