CID 3925

Qx-314

Structural Information

Molecular Formula

C₁₆H₂₇N₂O

SMILES

CC[N+](CC)(CC)CC(=O)NC1=C(C=CC=C1C)C

InChI

InChI=1S/C16H26N2O/c1-6-18(7-2,8-3)12-15(19)17-16-13(4)10-9-11-14(16)5/h9-11H,6-8,12H2,1-5H3/p+1

InChIKey

PYEBKOFMWAMBFV-UHFFFAOYSA-O

Compound name

[2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 316
References: 384
Patents: 263.21234 Da
Monoisotopic Mass: 2.5
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]+	264.21962	163.3
[M+Na]+	286.20156	168.7
[M-H]-	262.20506	168.2
[M+NH4]+	281.24616	180.6
[M+K]+	302.17550	161.0
[M+H-H2O]+	246.20960	159.4
[M+HCOO]-	308.21054	186.4
[M+CH3COO]-	322.22619	201.8
[M+Na-2H]-	284.18701	169.4
[M]+	263.21179	164.7
[M]-	263.21289	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe