CID 108137

76081-98-6

Structural Information

Molecular Formula

C₁₇H₁₅N₃O

SMILES

CC1=C(N2C=CC=C(C2=N1)OCC3=CC=CC=C3)CC#N

InChI

InChI=1S/C17H15N3O/c1-13-15(9-10-18)20-11-5-8-16(17(20)19-13)21-12-14-6-3-2-4-7-14/h2-8,11H,9,12H2,1H3

InChIKey

PYKJFEPAUKAXNN-UHFFFAOYSA-N

Compound name

2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 223
References: 231
Patents: 277.12152 Da
Monoisotopic Mass: 3.3
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]+	278.12880	166.5
[M+Na]+	300.11074	181.6
[M+NH4]+	295.15534	171.4
[M+K]+	316.08468	171.4
[M-H]-	276.11424	162.9
[M+Na-2H]-	298.09619	172.2
[M]+	277.12097	167.0
[M]-	277.12207	167.0

Literature stripe

literature stripe

Patent stripe

patents stripe