CID 201024

Bg 11 ga

Structural Information

Molecular Formula

C₁₆H₂₅NO₂

SMILES

CCCC(CCC)C(=O)NC1=CC=C(C=C1)OCC

InChI

InChI=1S/C16H25NO2/c1-4-7-13(8-5-2)16(18)17-14-9-11-15(12-10-14)19-6-3/h9-13H,4-8H2,1-3H3,(H,17,18)

InChIKey

BEHQTEMZHFAHLD-UHFFFAOYSA-N

Compound name

N-(4-ethoxyphenyl)-2-propylpentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 263.18854 Da
Monoisotopic Mass: 4.4
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]+	264.195816	166.3
[M+Na]+	286.177758	170.5
[M-H]-	262.181264	169.0
[M+NH4]+	281.222363	182.7
[M+K]+	302.151698	168.3
[M+H-H2O]+	246.185800	159.1
[M+HCOO]-	308.186741	188.2
[M+CH3COO]-	322.202391	202.6
[M+Na-2H]-	284.163206	167.8
[M]+	263.18799142	169.2
[M]-	263.18908858	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe