CID 10045421

Chembl245245

Structural Information

Molecular Formula
C19H13BrFN3
SMILES
C1=CC(=CC(=C1)F)C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)Br
InChI
InChI=1S/C19H13BrFN3/c20-15-6-4-13(5-7-15)11-24-9-8-17-18(12-24)23-19(22-17)14-2-1-3-16(21)10-14/h1-10,12H,11H2
InChIKey
FOJZDDQQPWBVTG-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)methyl]-2-(3-fluorophenyl)imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

381.02768 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.03496 183.4
[M+Na]+ 404.01690 196.5
[M-H]- 380.02040 191.8
[M+NH4]+ 399.06150 197.9
[M+K]+ 419.99084 182.4
[M+H-H2O]+ 364.02494 179.5
[M+HCOO]- 426.02588 200.6
[M+CH3COO]- 440.04153 195.7
[M+Na-2H]- 402.00235 188.1
[M]+ 381.02713 201.7
[M]- 381.02823 201.7
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

patents stripe