CID 3071640

138112-88-6

Structural Information

Molecular Formula

C₂₁H₂₁NO₂

SMILES

CC1=CC=C(C=C1)C(=O)NCCC2=CC=CC3=C2C=C(C=C3)OC

InChI

InChI=1S/C21H21NO2/c1-15-6-8-18(9-7-15)21(23)22-13-12-17-5-3-4-16-10-11-19(24-2)14-20(16)17/h3-11,14H,12-13H2,1-2H3,(H,22,23)

InChIKey

KQOJUTRDSPSFQR-UHFFFAOYSA-N

Compound name

N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 319.15723 Da
Monoisotopic Mass: 4.7
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]+	320.164506	176.8
[M+Na]+	342.146448	183.4
[M-H]-	318.149954	184.1
[M+NH4]+	337.191053	191.7
[M+K]+	358.120388	178.4
[M+H-H2O]+	302.154490	167.9
[M+HCOO]-	364.155431	199.1
[M+CH3COO]-	378.171081	212.5
[M+Na-2H]-	340.131896	181.2
[M]+	319.15668142	178.8
[M]-	319.15777858	178.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe