CID 170498

41378-51-2

Structural Information

Molecular Formula

C₁₆H₁₉NO

SMILES

CCN(CCOC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO/c1-2-17(15-9-5-3-6-10-15)13-14-18-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3

InChIKey

KKHWAYLPKGKYTI-UHFFFAOYSA-N

Compound name

N-ethyl-N-(2-phenoxyethyl)aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 29
Patents: 241.14667 Da
Monoisotopic Mass: 3.8
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]+	242.15395	156.5
[M+Na]+	264.13589	161.5
[M-H]-	240.13939	163.8
[M+NH4]+	259.18049	173.8
[M+K]+	280.10983	158.9
[M+H-H2O]+	224.14393	148.0
[M+HCOO]-	286.14487	182.0
[M+CH3COO]-	300.16052	198.4
[M+Na-2H]-	262.12134	163.1
[M]+	241.14612	158.2
[M]-	241.14722	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe