CID 96428

2095409-69-9

Structural Information

Molecular Formula

C₁₂H₁₇N₃O

SMILES

C1CNCCC1(C(=O)N)NC2=CC=CC=C2

InChI

InChI=1S/C12H17N3O/c13-11(16)12(6-8-14-9-7-12)15-10-4-2-1-3-5-10/h1-5,14-15H,6-9H2,(H2,13,16)

InChIKey

WAIIZELGDHTPRX-UHFFFAOYSA-N

Compound name

4-anilinopiperidine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 219.13716 Da
Monoisotopic Mass: 0.8
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]+	220.14444	150.9
[M+Na]+	242.12638	160.1
[M+NH4]+	237.17098	159.7
[M+K]+	258.10032	152.6
[M-H]-	218.12988	154.4
[M+Na-2H]-	240.11183	158.9
[M]+	219.13661	152.9
[M]-	219.13771	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe