CID 5171

4-(4-fluorophenyl)-1-cycloropropylmethyl-5-(4-pyridyl)-imidazole

Structural Information

Molecular Formula
C18H16FN3
SMILES
C1CC1CN2C=NC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C18H16FN3/c19-16-5-3-14(4-6-16)17-18(15-7-9-20-10-8-15)22(12-21-17)11-13-1-2-13/h3-10,12-13H,1-2,11H2
InChIKey
ROKOFZNQCIIJMI-UHFFFAOYSA-N
Compound name
4-[3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

484
Patents

293.1328 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14008 170.0
[M+Na]+ 316.12202 180.7
[M-H]- 292.12552 177.9
[M+NH4]+ 311.16662 178.2
[M+K]+ 332.09596 173.2
[M+H-H2O]+ 276.13006 158.5
[M+HCOO]- 338.13100 190.8
[M+CH3COO]- 352.14665 180.6
[M+Na-2H]- 314.10747 172.5
[M]+ 293.13225 170.8
[M]- 293.13335 170.8
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