CID 6481261

Chembl363162

Structural Information

Molecular Formula
C24H17Cl2N3
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=CNC=C3C(C4=C(C=C(C=C4)Cl)Cl)N5C=CN=C5
InChI
InChI=1S/C24H17Cl2N3/c25-17-8-9-20(23(26)12-17)24(29-11-10-27-15-29)22-14-28-13-21(22)19-7-3-5-16-4-1-2-6-18(16)19/h1-15,24,28H
InChIKey
JMNHBCQWFJFBQW-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)-(4-naphthalen-1-yl-1H-pyrrol-3-yl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

417.07996 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.08724 198.6
[M+Na]+ 440.06918 209.2
[M-H]- 416.07268 206.9
[M+NH4]+ 435.11378 209.4
[M+K]+ 456.04312 198.7
[M+H-H2O]+ 400.07722 187.2
[M+HCOO]- 462.07816 208.1
[M+CH3COO]- 476.09381 207.6
[M+Na-2H]- 438.05463 197.4
[M]+ 417.07941 202.0
[M]- 417.08051 202.0
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.