CID 202764

Butylamine, n,n-dimethyl-4-(2-benzylphenoxy)-, hydrochloride

Structural Information

Molecular Formula

C₁₉H₂₅NO

SMILES

CN(C)CCCCOC1=CC=CC=C1CC2=CC=CC=C2

InChI

InChI=1S/C19H25NO/c1-20(2)14-8-9-15-21-19-13-7-6-12-18(19)16-17-10-4-3-5-11-17/h3-7,10-13H,8-9,14-16H2,1-2H3

InChIKey

PFJZYHBLAAGRHJ-UHFFFAOYSA-N

Compound name

4-(2-benzylphenoxy)-N,N-dimethylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 283.1936 Da
Monoisotopic Mass: 4.6
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	170.3
[M+Na]+	306.182818	174.9
[M-H]-	282.186324	177.4
[M+NH4]+	301.227423	186.2
[M+K]+	322.156758	171.6
[M+H-H2O]+	266.190860	161.4
[M+HCOO]-	328.191801	194.7
[M+CH3COO]-	342.207451	208.5
[M+Na-2H]-	304.168266	174.5
[M]+	283.19305142	173.4
[M]-	283.19414858	173.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe