CID 3401521

3-(4-methoxyanilino)-1-(2-naphthyl)-1-propanone

Structural Information

Molecular Formula

C₂₀H₁₉NO₂

SMILES

COC1=CC=C(C=C1)NCCC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H19NO2/c1-23-19-10-8-18(9-11-19)21-13-12-20(22)17-7-6-15-4-2-3-5-16(15)14-17/h2-11,14,21H,12-13H2,1H3

InChIKey

VJOXCONJBHSZNU-UHFFFAOYSA-N

Compound name

3-(4-methoxyanilino)-1-naphthalen-2-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 305.14157 Da
Monoisotopic Mass: 5.0
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]+	306.148846	171.7
[M+Na]+	328.130788	177.8
[M-H]-	304.134294	178.8
[M+NH4]+	323.175393	186.8
[M+K]+	344.104728	172.9
[M+H-H2O]+	288.138830	162.8
[M+HCOO]-	350.139771	194.3
[M+CH3COO]-	364.155421	209.0
[M+Na-2H]-	326.116236	177.5
[M]+	305.14102142	173.0
[M]-	305.14211858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.