CID 16784167

4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)aniline

Structural Information

Molecular Formula

C₁₄H₁₉ClN₂O

SMILES

CC1CCCC(N1C(=O)C2=C(C=CC(=C2)Cl)N)C

InChI

InChI=1S/C14H19ClN2O/c1-9-4-3-5-10(2)17(9)14(18)12-8-11(15)6-7-13(12)16/h6-10H,3-5,16H2,1-2H3

InChIKey

NLBAGVYULQARLP-UHFFFAOYSA-N

Compound name

(2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.1186 Da
Monoisotopic Mass: 3.2
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]+	267.125876	162.4
[M+Na]+	289.107818	169.7
[M-H]-	265.111324	167.0
[M+NH4]+	284.152423	178.3
[M+K]+	305.081758	164.5
[M+H-H2O]+	249.115860	155.4
[M+HCOO]-	311.116801	176.3
[M+CH3COO]-	325.132451	199.7
[M+Na-2H]-	287.093266	162.2
[M]+	266.11805142	159.7
[M]-	266.11914858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.