CID 54126573

Schembl10592227

Structural Information

Molecular Formula

C₁₇H₂₁NO

SMILES

CCN(CC)C1=CC=CC(=C1)COC2=CC=CC=C2

InChI

InChI=1S/C17H21NO/c1-3-18(4-2)16-10-8-9-15(13-16)14-19-17-11-6-5-7-12-17/h5-13H,3-4,14H2,1-2H3

InChIKey

NRJLSCXDEWCXHU-UHFFFAOYSA-N

Compound name

N,N-diethyl-3-(phenoxymethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 255.16231 Da
Monoisotopic Mass: 4.2
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]+	256.16959	161.0
[M+Na]+	278.15153	166.5
[M-H]-	254.15503	168.5
[M+NH4]+	273.19613	178.1
[M+K]+	294.12547	163.7
[M+H-H2O]+	238.15957	152.5
[M+HCOO]-	300.16051	186.1
[M+CH3COO]-	314.17616	202.5
[M+Na-2H]-	276.13698	166.3
[M]+	255.16176	163.4
[M]-	255.16286	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe