CID 2771111

4-(4-fluorophenyl)-4,5,6,7-tetrahydro-3h-imidazo[4,5-c]pyridine

Structural Information

Molecular Formula
C12H12FN3
SMILES
C1CNC(C2=C1NC=N2)C3=CC=C(C=C3)F
InChI
InChI=1S/C12H12FN3/c13-9-3-1-8(2-4-9)11-12-10(5-6-14-11)15-7-16-12/h1-4,7,11,14H,5-6H2,(H,15,16)
InChIKey
ORABCGATFDOVFL-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

217.10153 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10881 148.4
[M+Na]+ 240.09075 160.7
[M+NH4]+ 235.13535 156.1
[M+K]+ 256.06469 155.5
[M-H]- 216.09425 149.3
[M+Na-2H]- 238.07620 154.4
[M]+ 217.10098 150.2
[M]- 217.10208 150.2
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.