CID 6481246

1-[[4-(2,4-dichlorophenyl)-1-methyl-pyrrol-3-yl]-phenyl-methyl]imidazole

Structural Information

Molecular Formula
C21H17Cl2N3
SMILES
CN1C=C(C(=C1)C(C2=CC=CC=C2)N3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C21H17Cl2N3/c1-25-12-18(17-8-7-16(22)11-20(17)23)19(13-25)21(26-10-9-24-14-26)15-5-3-2-4-6-15/h2-14,21H,1H3
InChIKey
WYQHVPIRICXTGW-UHFFFAOYSA-N
Compound name
1-[[4-(2,4-dichlorophenyl)-1-methylpyrrol-3-yl]-phenylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.07996 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.08724 189.6
[M+Na]+ 404.06918 200.6
[M-H]- 380.07268 198.4
[M+NH4]+ 399.11378 201.8
[M+K]+ 420.04312 191.7
[M+H-H2O]+ 364.07722 178.2
[M+HCOO]- 426.07816 201.7
[M+CH3COO]- 440.09381 199.9
[M+Na-2H]- 402.05463 187.7
[M]+ 381.07941 194.6
[M]- 381.08051 194.6
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.