CID 6481283

Chembl416002

Structural Information

Molecular Formula
C20H16FN3
SMILES
C1=CC=C(C=C1)N2C=CC(=C2)C(C3=CC=C(C=C3)F)N4C=CN=C4
InChI
InChI=1S/C20H16FN3/c21-18-8-6-16(7-9-18)20(24-13-11-22-15-24)17-10-12-23(14-17)19-4-2-1-3-5-19/h1-15,20H
InChIKey
RPBUWIXUGHJMAF-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)-(1-phenylpyrrol-3-yl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

317.1328 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14008 171.4
[M+Na]+ 340.12202 180.3
[M-H]- 316.12552 179.9
[M+NH4]+ 335.16662 184.4
[M+K]+ 356.09596 173.5
[M+H-H2O]+ 300.13006 159.5
[M+HCOO]- 362.13100 193.2
[M+CH3COO]- 376.14665 182.6
[M+Na-2H]- 338.10747 172.8
[M]+ 317.13225 171.2
[M]- 317.13335 171.2
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.