CID 132280994

Refchem:196953

Structural Information

Molecular Formula

C₁₉H₂₅NO

SMILES

CCC1=CC=C(C=C1)CC(C)NCC2=CC=CC=C2OC

InChI

InChI=1S/C19H25NO/c1-4-16-9-11-17(12-10-16)13-15(2)20-14-18-7-5-6-8-19(18)21-3/h5-12,15,20H,4,13-14H2,1-3H3

InChIKey

WWWBFWRUWWKJIJ-UHFFFAOYSA-N

Compound name

1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 3
Patents: 283.1936 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]+	284.200876	170.2
[M+Na]+	306.182818	175.3
[M-H]-	282.186324	176.3
[M+NH4]+	301.227423	185.8
[M+K]+	322.156758	171.2
[M+H-H2O]+	266.190860	161.9
[M+HCOO]-	328.191801	193.1
[M+CH3COO]-	342.207451	207.0
[M+Na-2H]-	304.168266	173.2
[M]+	283.19305142	171.9
[M]-	283.19414858	171.9

Literature stripe

literature stripe

Patent stripe

patents stripe