CID 10421577

Fr-79620

Structural Information

Molecular Formula

C₁₅H₁₃N₃

SMILES

CC1=C(N=C(N1)C2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C15H13N3/c1-11-14(13-8-5-9-16-10-13)18-15(17-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,17,18)

InChIKey

CAQAIFUDUGDPFB-UHFFFAOYSA-N

Compound name

3-(5-methyl-2-phenyl-1H-imidazol-4-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26
Patents: 235.11095 Da
Monoisotopic Mass: 2.7
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]+	236.118226	153.1
[M+Na]+	258.100168	162.1
[M-H]-	234.103674	157.9
[M+NH4]+	253.144773	167.5
[M+K]+	274.074108	155.8
[M+H-H2O]+	218.108210	143.2
[M+HCOO]-	280.109151	173.7
[M+CH3COO]-	294.124801	164.9
[M+Na-2H]-	256.085616	158.3
[M]+	235.11040142	151.1
[M]-	235.11149858	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe