CID 6481260

Chembl364533

Structural Information

Molecular Formula
C25H20Cl2N4
SMILES
CN1C=C(C(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3C=CN=C3)C4=CC=C(C=C4)N5C=CC=C5
InChI
InChI=1S/C25H20Cl2N4/c1-29-15-22(18-4-7-20(8-5-18)30-11-2-3-12-30)23(16-29)25(31-13-10-28-17-31)21-9-6-19(26)14-24(21)27/h2-17,25H,1H3
InChIKey
DEKRDBRWCDKYAG-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)-[1-methyl-4-(4-pyrrol-1-ylphenyl)pyrrol-3-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

446.1065 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.11378 206.5
[M+Na]+ 469.09572 217.2
[M-H]- 445.09922 217.8
[M+NH4]+ 464.14032 216.1
[M+K]+ 485.06966 208.1
[M+H-H2O]+ 429.10376 193.6
[M+HCOO]- 491.10470 217.8
[M+CH3COO]- 505.12035 215.7
[M+Na-2H]- 467.08117 200.4
[M]+ 446.10595 212.1
[M]- 446.10705 212.1
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.