CID 6481281

Chembl20307

Structural Information

Molecular Formula
C20H15ClFN3
SMILES
C1=CC(=CC=C1C(C2=CN(C=C2)C3=CC=C(C=C3)F)N4C=CN=C4)Cl
InChI
InChI=1S/C20H15ClFN3/c21-17-3-1-15(2-4-17)20(25-12-10-23-14-25)16-9-11-24(13-16)19-7-5-18(22)6-8-19/h1-14,20H
InChIKey
DIYSLQICFHBTQL-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)-[1-(4-fluorophenyl)pyrrol-3-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

351.09384 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.10112 179.6
[M+Na]+ 374.08306 190.1
[M-H]- 350.08656 188.0
[M+NH4]+ 369.12766 192.3
[M+K]+ 390.05700 181.8
[M+H-H2O]+ 334.09110 167.6
[M+HCOO]- 396.09204 196.5
[M+CH3COO]- 410.10769 190.6
[M+Na-2H]- 372.06851 179.5
[M]+ 351.09329 182.0
[M]- 351.09439 182.0
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.