CID 74431

Dacorene hydrochloride

Structural Information

Molecular Formula

C₁₈H₂₃NO

SMILES

CCN(CC)CCOC1=CC=CC=C1C2=CC=CC=C2

InChI

InChI=1S/C18H23NO/c1-3-19(4-2)14-15-20-18-13-9-8-12-17(18)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3

InChIKey

VIWNTYCMLMKKAM-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-(2-phenylphenoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 269.17798 Da
Monoisotopic Mass: 4.0
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]+	270.185256	165.7
[M+Na]+	292.167198	170.7
[M-H]-	268.170704	173.0
[M+NH4]+	287.211803	182.2
[M+K]+	308.141138	167.7
[M+H-H2O]+	252.175240	157.0
[M+HCOO]-	314.176181	190.4
[M+CH3COO]-	328.191831	205.5
[M+Na-2H]-	290.152646	170.4
[M]+	269.17743142	168.4
[M]-	269.17852858	168.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe