CID 164894

1178-99-0

Structural Information

Molecular Formula

SMILES

CCN(CC)CCOC1=CC=C(C=C1)C2=C(CCC3=C2C=CC(=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C29H33NO2/c1-4-30(5-2)19-20-32-25-14-11-23(12-15-25)29-27(22-9-7-6-8-10-22)17-13-24-21-26(31-3)16-18-28(24)29/h6-12,14-16,18,21H,4-5,13,17,19-20H2,1-3H3

InChIKey

LMNAQEJWMWBYLC-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethanamine

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 0
Patents: 427.25113 Da
Monoisotopic Mass: 6.1
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]+	428.25841	210.1
[M+Na]+	450.24035	214.0
[M-H]-	426.24385	220.3
[M+NH4]+	445.28495	220.4
[M+K]+	466.21429	208.5
[M+H-H2O]+	410.24839	198.0
[M+HCOO]-	472.24933	230.2
[M+CH3COO]-	486.26498	237.2
[M+Na-2H]-	448.22580	210.9
[M]+	427.25058	213.1
[M]-	427.25168	213.1

Literature stripe

Patent stripe