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: 5
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]+	236.11823	154.3
[M+Na]+	258.10017	170.6
[M+NH4]+	253.14477	162.8
[M+K]+	274.07411	163.9
[M-H]-	234.10367	159.3
[M+Na-2H]-	256.08562	165.6
[M]+	235.11040	158.2
[M]-	235.11150	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe