CID 10380335

51989-46-9

Structural Information

Molecular Formula

C₁₈H₂₈N₂O₂

SMILES

CCCCN1CCCCC1C(=O)NC2=C(C=CC(=C2C)O)C

InChI

InChI=1S/C18H28N2O2/c1-4-5-11-20-12-7-6-8-15(20)18(22)19-17-13(2)9-10-16(21)14(17)3/h9-10,15,21H,4-8,11-12H2,1-3H3,(H,19,22)

InChIKey

APYKFYXYNIYHGU-UHFFFAOYSA-N

Compound name

1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 304.2151 Da
Monoisotopic Mass: 3.1
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]+	305.222376	176.5
[M+Na]+	327.204318	180.6
[M-H]-	303.207824	179.6
[M+NH4]+	322.248923	189.4
[M+K]+	343.178258	176.5
[M+H-H2O]+	287.212360	168.1
[M+HCOO]-	349.213301	192.9
[M+CH3COO]-	363.228951	208.4
[M+Na-2H]-	325.189766	175.3
[M]+	304.21455142	173.6
[M]-	304.21564858	173.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.