CID 3071631

138112-79-5

Structural Information

Molecular Formula

C₁₆H₁₉NO₂

SMILES

CCC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC

InChI

InChI=1S/C16H19NO2/c1-3-16(18)17-10-9-13-6-4-5-12-7-8-14(19-2)11-15(12)13/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)

InChIKey

AGFPIMUSQHDOJP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 55
Patents: 257.14157 Da
Monoisotopic Mass: 3.2
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]+	258.14885	160.0
[M+Na]+	280.13079	172.8
[M+NH4]+	275.17539	168.4
[M+K]+	296.10473	165.0
[M-H]-	256.13429	163.3
[M+Na-2H]-	278.11624	166.4
[M]+	257.14102	162.7
[M]-	257.14212	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe