CID 3071652

138112-99-9

Structural Information

Molecular Formula

C₁₇H₂₁NO₂

SMILES

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

InChI

InChI=1S/C17H21NO2/c1-3-5-17(19)18-11-10-14-7-4-6-13-8-9-15(20-2)12-16(13)14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,18,19)

InChIKey

OLBZALDKGALNQC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 43
Patents: 271.15723 Da
Monoisotopic Mass: 3.5
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]+	272.164506	164.4
[M+Na]+	294.146448	170.7
[M-H]-	270.149954	168.4
[M+NH4]+	289.191053	181.7
[M+K]+	310.120388	167.0
[M+H-H2O]+	254.154490	157.0
[M+HCOO]-	316.155431	186.8
[M+CH3COO]-	330.171081	203.4
[M+Na-2H]-	292.131896	169.2
[M]+	271.15668142	167.3
[M]-	271.15777858	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe