CID 6481277

Chembl439726

Structural Information

Molecular Formula
C20H15Cl2N3
SMILES
C1=CC(=CC=C1C(C2=CN(C=C2)C3=CC=C(C=C3)Cl)N4C=CN=C4)Cl
InChI
InChI=1S/C20H15Cl2N3/c21-17-3-1-15(2-4-17)20(25-12-10-23-14-25)16-9-11-24(13-16)19-7-5-18(22)6-8-19/h1-14,20H
InChIKey
WNFWTALOSDILBM-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)-[1-(4-chlorophenyl)pyrrol-3-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

367.0643 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.07158 184.8
[M+Na]+ 390.05352 195.4
[M-H]- 366.05702 193.4
[M+NH4]+ 385.09812 197.2
[M+K]+ 406.02746 186.7
[M+H-H2O]+ 350.06156 173.3
[M+HCOO]- 412.06250 197.2
[M+CH3COO]- 426.07815 195.2
[M+Na-2H]- 388.03897 184.1
[M]+ 367.06375 189.1
[M]- 367.06485 189.1
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.