CID 584690

N-(4-ethoxyphenyl)-4-methoxybenzamide

Structural Information

Molecular Formula

C₁₆H₁₇NO₃

SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H17NO3/c1-3-20-15-10-6-13(7-11-15)17-16(18)12-4-8-14(19-2)9-5-12/h4-11H,3H2,1-2H3,(H,17,18)

InChIKey

KFCUNBINSMDUMN-UHFFFAOYSA-N

Compound name

N-(4-ethoxyphenyl)-4-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 271.12085 Da
Monoisotopic Mass: 2.9
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]+	272.128126	161.8
[M+Na]+	294.110068	168.4
[M-H]-	270.113574	168.6
[M+NH4]+	289.154673	177.7
[M+K]+	310.084008	165.7
[M+H-H2O]+	254.118110	153.7
[M+HCOO]-	316.119051	186.4
[M+CH3COO]-	330.134701	200.7
[M+Na-2H]-	292.095516	166.5
[M]+	271.12030142	164.5
[M]-	271.12139858	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe