CID 10425450

1347744-96-0

Structural Information

Molecular Formula

C₁₉H₂₃N₃O

SMILES

CC1=CC(=CC=C1)NC(=O)CN2CCC(CC2)C3=CC=CC=N3

InChI

InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)

InChIKey

JFCDMGGMCUKHST-UHFFFAOYSA-N

Compound name

N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 15
References: 45
Patents: 309.1841 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]+	310.19138	175.5
[M+Na]+	332.17332	179.0
[M-H]-	308.17682	181.1
[M+NH4]+	327.21792	186.2
[M+K]+	348.14726	173.8
[M+H-H2O]+	292.18136	164.3
[M+HCOO]-	354.18230	192.8
[M+CH3COO]-	368.19795	184.2
[M+Na-2H]-	330.15877	178.3
[M]+	309.18355	170.3
[M]-	309.18465	170.3

Literature stripe

literature stripe

Patent stripe

patents stripe