CID 827233

1-piperidinepropanamide, n-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-, monohydrochloride

Structural Information

Molecular Formula

C₂₀H₂₈N₂O

SMILES

C1CCN(CC1)CCC(=O)NC2=C3CCCC3=CC4=C2CCC4

InChI

InChI=1S/C20H28N2O/c23-19(10-13-22-11-2-1-3-12-22)21-20-17-8-4-6-15(17)14-16-7-5-9-18(16)20/h14H,1-13H2,(H,21,23)

InChIKey

XJBWCTRAAVIUIR-UHFFFAOYSA-N

Compound name

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 312.22015 Da
Monoisotopic Mass: 3.6
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]+	313.227426	177.0
[M+Na]+	335.209368	179.1
[M-H]-	311.212874	182.2
[M+NH4]+	330.253973	194.8
[M+K]+	351.183308	174.0
[M+H-H2O]+	295.217410	168.8
[M+HCOO]-	357.218351	192.3
[M+CH3COO]-	371.234001	185.6
[M+Na-2H]-	333.194816	175.0
[M]+	312.21960142	170.6
[M]-	312.22069858	170.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.