CID 3024403

3138 i.s.

Structural Information

Molecular Formula

C₁₉H₂₈N₂O₂

SMILES

CCN(CC)CCC(=O)N1CCC(CC1)(C=O)C2=CC=CC=C2

InChI

InChI=1S/C19H28N2O2/c1-3-20(4-2)13-10-18(23)21-14-11-19(16-22,12-15-21)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3

InChIKey

QOGHKTAUEOAMAW-UHFFFAOYSA-N

Compound name

1-[3-(diethylamino)propanoyl]-4-phenylpiperidine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 316.2151 Da
Monoisotopic Mass: 1.9
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]+	317.222376	178.6
[M+Na]+	339.204318	181.3
[M-H]-	315.207824	183.6
[M+NH4]+	334.248923	193.4
[M+K]+	355.178258	178.9
[M+H-H2O]+	299.212360	169.5
[M+HCOO]-	361.213301	197.0
[M+CH3COO]-	375.228951	212.2
[M+Na-2H]-	337.189766	180.0
[M]+	316.21455142	177.6
[M]-	316.21564858	177.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.