CID 214376

33089-92-8

Structural Information

Molecular Formula

C₂₀H₂₃F₃N₂O₂

SMILES

CCN(CC)CCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C20H23F3N2O2/c1-3-25(4-2)13-14-27-18-8-6-5-7-17(18)19(26)24-16-11-9-15(10-12-16)20(21,22)23/h5-12H,3-4,13-14H2,1-2H3,(H,24,26)

InChIKey

BDGLMFBJZYAHJX-UHFFFAOYSA-N

Compound name

2-[2-(diethylamino)ethoxy]-N-[4-(trifluoromethyl)phenyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 380.17117 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]+	381.178446	190.2
[M+Na]+	403.160388	195.0
[M-H]-	379.163894	193.5
[M+NH4]+	398.204993	201.8
[M+K]+	419.134328	191.3
[M+H-H2O]+	363.168430	178.4
[M+HCOO]-	425.169371	209.8
[M+CH3COO]-	439.185021	226.7
[M+Na-2H]-	401.145836	191.3
[M]+	380.17062142	189.4
[M]-	380.17171858	189.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.