CID 213415

O-(3-diethylaminopropoxy)phenyl o-tolyl ether hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₇NO₂

SMILES

CCN(CC)CCCOC1=CC=CC=C1OC2=CC=CC=C2C

InChI

InChI=1S/C20H27NO2/c1-4-21(5-2)15-10-16-22-19-13-8-9-14-20(19)23-18-12-7-6-11-17(18)3/h6-9,11-14H,4-5,10,15-16H2,1-3H3

InChIKey

MPWBUMFNEWIOBR-UHFFFAOYSA-N

Compound name

N,N-diethyl-3-[2-(2-methylphenoxy)phenoxy]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 313.2042 Da
Monoisotopic Mass: 4.9
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]+	314.211476	178.1
[M+Na]+	336.193418	183.1
[M-H]-	312.196924	185.4
[M+NH4]+	331.238023	193.0
[M+K]+	352.167358	180.3
[M+H-H2O]+	296.201460	168.9
[M+HCOO]-	358.202401	202.4
[M+CH3COO]-	372.218051	214.6
[M+Na-2H]-	334.178866	181.0
[M]+	313.20365142	183.4
[M]-	313.20474858	183.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe