CID 5171

Sb-216995

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: 503
Patents: 293.1328 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.140076	170.0
[M+Na]+	316.122018	180.7
[M-H]-	292.125524	177.9
[M+NH4]+	311.166623	178.2
[M+K]+	332.095958	173.2
[M+H-H2O]+	276.130060	158.5
[M+HCOO]-	338.131001	190.8
[M+CH3COO]-	352.146651	180.6
[M+Na-2H]-	314.107466	172.5
[M]+	293.13225142	170.8
[M]-	293.13334858	170.8

Literature stripe

literature stripe

Patent stripe

patents stripe