CID 6481262

Chembl191018

Structural Information

Molecular Formula
C25H19Cl2N3
SMILES
CN1C=C(C(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3C=CN=C3)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C25H19Cl2N3/c1-29-14-22(20-8-4-6-17-5-2-3-7-19(17)20)23(15-29)25(30-12-11-28-16-30)21-10-9-18(26)13-24(21)27/h2-16,25H,1H3
InChIKey
CHNKNGSGNRZHCK-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)-(1-methyl-4-naphthalen-1-ylpyrrol-3-yl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.0956 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.10288 204.9
[M+Na]+ 454.08482 216.3
[M-H]- 430.08832 214.5
[M+NH4]+ 449.12942 216.0
[M+K]+ 470.05876 206.2
[M+H-H2O]+ 414.09286 193.0
[M+HCOO]- 476.09380 215.3
[M+CH3COO]- 490.10945 214.2
[M+Na-2H]- 452.07027 202.5
[M]+ 431.09505 210.5
[M]- 431.09615 210.5
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.