CID 25154868

Pf 750

Structural Information

Molecular Formula

C₂₂H₂₃N₃O

SMILES

C1CN(CCC1CC2=CC3=CC=CC=C3N=C2)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O/c26-22(24-20-7-2-1-3-8-20)25-12-10-17(11-13-25)14-18-15-19-6-4-5-9-21(19)23-16-18/h1-9,15-17H,10-14H2,(H,24,26)

InChIKey

BIODYGOZWZNCAG-UHFFFAOYSA-N

Compound name

N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 16
References: 1
Patents: 345.1841 Da
Monoisotopic Mass: 4.1
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]+	346.19138	183.5
[M+Na]+	368.17332	187.0
[M-H]-	344.17682	189.5
[M+NH4]+	363.21792	193.3
[M+K]+	384.14726	180.4
[M+H-H2O]+	328.18136	171.4
[M+HCOO]-	390.18230	199.3
[M+CH3COO]-	404.19795	191.3
[M+Na-2H]-	366.15877	187.8
[M]+	345.18355	177.7
[M]-	345.18465	177.7

Literature stripe

literature stripe

Patent stripe

patents stripe