CID 172640803

4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-n,n-dimethylbenzamide

Structural Information

Molecular Formula

C₂₄H₃₂N₂O₂

SMILES

CCN(CCC1=CC=CC=C1)C2CCOC(C2)C3=CC=C(C=C3)C(=O)N(C)C

InChI

InChI=1S/C24H32N2O2/c1-4-26(16-14-19-8-6-5-7-9-19)22-15-17-28-23(18-22)20-10-12-21(13-11-20)24(27)25(2)3/h5-13,22-23H,4,14-18H2,1-3H3

InChIKey

VMEOWRCUCDWGRV-UHFFFAOYSA-N

Compound name

4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 380.24637 Da
Monoisotopic Mass: 4.0
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]+	381.253646	197.9
[M+Na]+	403.235588	198.7
[M-H]-	379.239094	208.9
[M+NH4]+	398.280193	207.9
[M+K]+	419.209528	197.3
[M+H-H2O]+	363.243630	186.9
[M+HCOO]-	425.244571	217.4
[M+CH3COO]-	439.260221	231.2
[M+Na-2H]-	401.221036	197.4
[M]+	380.24582142	197.2
[M]-	380.24691858	197.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.