CID 102637

1505-96-0

Structural Information

Molecular Formula

C₂₂H₃₀N₂O

SMILES

CC(C)C(CCN1CCCCC1)(C2=CC=CC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C22H30N2O/c1-17(2)22(21(23)25,13-16-24-14-6-3-7-15-24)20-12-8-10-18-9-4-5-11-19(18)20/h4-5,8-12,17H,3,6-7,13-16H2,1-2H3,(H2,23,25)

InChIKey

RTNXNRZZXYBWJZ-UHFFFAOYSA-N

Compound name

3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 338.2358 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]+	339.243076	185.1
[M+Na]+	361.225018	186.4
[M-H]-	337.228524	188.5
[M+NH4]+	356.269623	196.7
[M+K]+	377.198958	181.6
[M+H-H2O]+	321.233060	175.8
[M+HCOO]-	383.234001	197.9
[M+CH3COO]-	397.249651	216.0
[M+Na-2H]-	359.210466	186.3
[M]+	338.23525142	179.4
[M]-	338.23634858	179.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe