CID 65996

Sameridine

Structural Information

Molecular Formula

C₂₁H₃₄N₂O

SMILES

CCCCCCN1CCC(CC1)(C2=CC=CC=C2)C(=O)N(C)CC

InChI

InChI=1S/C21H34N2O/c1-4-6-7-11-16-23-17-14-21(15-18-23,20(24)22(3)5-2)19-12-9-8-10-13-19/h8-10,12-13H,4-7,11,14-18H2,1-3H3

InChIKey

TYWUGCGYWNSRPS-UHFFFAOYSA-N

Compound name

N-ethyl-1-hexyl-N-methyl-4-phenylpiperidine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 361
Patents: 330.26712 Da
Monoisotopic Mass: 4.4
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]+	331.27440	185.7
[M+Na]+	353.25634	187.3
[M-H]-	329.25984	190.2
[M+NH4]+	348.30094	200.0
[M+K]+	369.23028	184.4
[M+H-H2O]+	313.26438	176.3
[M+HCOO]-	375.26532	203.0
[M+CH3COO]-	389.28097	216.9
[M+Na-2H]-	351.24179	185.8
[M]+	330.26657	184.6
[M]-	330.26767	184.6

Literature stripe

literature stripe

Patent stripe

patents stripe