CID 16077342

Chembl245246

Structural Information

Molecular Formula
C19H13BrFN3
SMILES
C1=CC(=CC=C1CN2C=CC3=NC(=NC3=C2)C4=CC=C(C=C4)F)Br
InChI
InChI=1S/C19H13BrFN3/c20-15-5-1-13(2-6-15)11-24-10-9-17-18(12-24)23-19(22-17)14-3-7-16(21)8-4-14/h1-10,12H,11H2
InChIKey
KRGOPJIQHGSASW-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.