CID 10018969

Chembl219506

Structural Information

Molecular Formula
C19H13F2N3
SMILES
C1=CC=C(C=C1)C2=NC3=CN(C=CC3=N2)CC4=C(C=CC=C4F)F
InChI
InChI=1S/C19H13F2N3/c20-15-7-4-8-16(21)14(15)11-24-10-9-17-18(12-24)23-19(22-17)13-5-2-1-3-6-13/h1-10,12H,11H2
InChIKey
RFJYGZURQRXYKL-UHFFFAOYSA-N
Compound name
5-[(2,6-difluorophenyl)methyl]-2-phenylimidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

321.10776 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11504 174.4
[M+Na]+ 344.09698 185.3
[M-H]- 320.10048 179.1
[M+NH4]+ 339.14158 187.2
[M+K]+ 360.07092 177.0
[M+H-H2O]+ 304.10502 161.6
[M+HCOO]- 366.10596 192.6
[M+CH3COO]- 380.12161 185.0
[M+Na-2H]- 342.08243 177.7
[M]+ 321.10721 173.1
[M]- 321.10831 173.1
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