CID 488823

Cci 16543

Structural Information

Molecular Formula

C₁₉H₂₅NO

SMILES

CCN(CC)CC1=CC=C(C=C1)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C19H25NO/c1-4-20(5-2)15-16-7-9-17(10-8-16)18-11-13-19(14-12-18)21-6-3/h7-14H,4-6,15H2,1-3H3

InChIKey

AHYSSQJEUVCMPO-UHFFFAOYSA-N

Compound name

N-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 283.1936 Da
Monoisotopic Mass: 4.5
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]+	284.200876	170.1
[M+Na]+	306.182818	175.6
[M-H]-	282.186324	177.6
[M+NH4]+	301.227423	186.3
[M+K]+	322.156758	172.4
[M+H-H2O]+	266.190860	161.4
[M+HCOO]-	328.191801	194.5
[M+CH3COO]-	342.207451	209.6
[M+Na-2H]-	304.168266	173.5
[M]+	283.19305142	173.6
[M]-	283.19414858	173.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.