CID 6481291

Chembl94202

Structural Information

Molecular Formula
C24H18Cl2N4
SMILES
C1=CN(C=C1)C2=CC=C(C=C2)C3=CNC=C3C(C4=C(C=C(C=C4)Cl)Cl)N5C=CN=C5
InChI
InChI=1S/C24H18Cl2N4/c25-18-5-8-20(23(26)13-18)24(30-12-9-27-16-30)22-15-28-14-21(22)17-3-6-19(7-4-17)29-10-1-2-11-29/h1-16,24,28H
InChIKey
AHRQMVNBLZIKPR-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)-[4-(4-pyrrol-1-ylphenyl)-1H-pyrrol-3-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.09085 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.09813 200.5
[M+Na]+ 455.08007 210.4
[M-H]- 431.08357 210.5
[M+NH4]+ 450.12467 209.8
[M+K]+ 471.05401 200.8
[M+H-H2O]+ 415.08811 188.0
[M+HCOO]- 477.08905 210.8
[M+CH3COO]- 491.10470 209.3
[M+Na-2H]- 453.06552 195.5
[M]+ 432.09030 203.8
[M]- 432.09140 203.8
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.