CID 217731

Dtxsid80945228

Structural Information

Molecular Formula

C₂₀H₂₆N₂O₂

SMILES

CCCNC(C)C(=O)NC1=C(C=C(C=C1)OCC2=CC=CC=C2)C

InChI

InChI=1S/C20H26N2O2/c1-4-12-21-16(3)20(23)22-19-11-10-18(13-15(19)2)24-14-17-8-6-5-7-9-17/h5-11,13,16,21H,4,12,14H2,1-3H3,(H,22,23)

InChIKey

LTYXEELLDJKGIY-UHFFFAOYSA-N

Compound name

N-(2-methyl-4-phenylmethoxyphenyl)-2-(propylamino)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 326.19943 Da
Monoisotopic Mass: 3.6
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]+	327.206706	181.2
[M+Na]+	349.188648	184.9
[M-H]-	325.192154	187.1
[M+NH4]+	344.233253	194.4
[M+K]+	365.162588	181.2
[M+H-H2O]+	309.196690	172.1
[M+HCOO]-	371.197631	204.2
[M+CH3COO]-	385.213281	216.6
[M+Na-2H]-	347.174096	182.9
[M]+	326.19888142	182.5
[M]-	326.19997858	182.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe