CID 6481263

Chembl191028

Structural Information

Molecular Formula
C26H21Cl2N3
SMILES
CCN1C=C(C(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3C=CN=C3)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C26H21Cl2N3/c1-2-30-15-23(21-9-5-7-18-6-3-4-8-20(18)21)24(16-30)26(31-13-12-29-17-31)22-11-10-19(27)14-25(22)28/h3-17,26H,2H2,1H3
InChIKey
OGUXNYIWVMPLKT-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)-(1-ethyl-4-naphthalen-1-ylpyrrol-3-yl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

445.11127 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.11855 209.2
[M+Na]+ 468.10049 220.2
[M-H]- 444.10399 218.7
[M+NH4]+ 463.14509 219.8
[M+K]+ 484.07443 209.9
[M+H-H2O]+ 428.10853 197.1
[M+HCOO]- 490.10947 219.3
[M+CH3COO]- 504.12512 218.1
[M+Na-2H]- 466.08594 206.3
[M]+ 445.11072 215.2
[M]- 445.11182 215.2
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.