CID 11725854

Chembl216858

Structural Information

Molecular Formula
C19H11F4N3
SMILES
C1=CC(=C(C(=C1)F)CN2C=CC3=NC(=NC3=C2)C4=C(C=CC=C4F)F)F
InChI
InChI=1S/C19H11F4N3/c20-12-3-1-4-13(21)11(12)9-26-8-7-16-17(10-26)25-19(24-16)18-14(22)5-2-6-15(18)23/h1-8,10H,9H2
InChIKey
OGMWMSBOUAJNBU-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-5-[(2,6-difluorophenyl)methyl]imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

357.0889 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.09618 181.9
[M+Na]+ 380.07812 194.7
[M-H]- 356.08162 184.6
[M+NH4]+ 375.12272 193.6
[M+K]+ 396.05206 185.4
[M+H-H2O]+ 340.08616 167.5
[M+HCOO]- 402.08710 197.8
[M+CH3COO]- 416.10275 191.8
[M+Na-2H]- 378.06357 182.3
[M]+ 357.08835 179.3
[M]- 357.08945 179.3
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