CID 3038996

42045-99-8

Structural Information

Molecular Formula

C₁₇H₂₆N₂O

SMILES

CCC(=O)N(C1CC(N(CC1C)C)C)C2=CC=CC=C2

InChI

InChI=1S/C17H26N2O/c1-5-17(20)19(15-9-7-6-8-10-15)16-11-14(3)18(4)12-13(16)2/h6-10,13-14,16H,5,11-12H2,1-4H3

InChIKey

UZMRWXDSDMRMNW-UHFFFAOYSA-N

Compound name

N-phenyl-N-(1,2,5-trimethylpiperidin-4-yl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.2045 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]+	275.211776	167.9
[M+Na]+	297.193718	172.2
[M-H]-	273.197224	173.7
[M+NH4]+	292.238323	183.2
[M+K]+	313.167658	169.9
[M+H-H2O]+	257.201760	159.2
[M+HCOO]-	319.202701	186.5
[M+CH3COO]-	333.218351	207.9
[M+Na-2H]-	295.179166	167.7
[M]+	274.20395142	166.0
[M]-	274.20504858	166.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.