CID 6481285

Chembl276951

Structural Information

Molecular Formula
C20H15F2N3
SMILES
C1=CC(=CC=C1C(C2=CN(C=C2)C3=CC=C(C=C3)F)N4C=CN=C4)F
InChI
InChI=1S/C20H15F2N3/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
BTKUBELCONMVFQ-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)-[1-(4-fluorophenyl)pyrrol-3-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

335.1234 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13068 174.3
[M+Na]+ 358.11262 184.2
[M-H]- 334.11612 181.9
[M+NH4]+ 353.15722 186.9
[M+K]+ 374.08656 176.9
[M+H-H2O]+ 318.12066 161.8
[M+HCOO]- 380.12160 195.1
[M+CH3COO]- 394.13725 185.4
[M+Na-2H]- 356.09807 174.4
[M]+ 335.12285 173.6
[M]- 335.12395 173.6
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.