CID 710605

N-(2,4-dimethoxyphenyl)-4-methylbenzamide

Structural Information

Molecular Formula

C₁₆H₁₇NO₃

SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)OC

InChI

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

InChIKey

AGWCBNJDPXUGEN-UHFFFAOYSA-N

Compound name

N-(2,4-dimethoxyphenyl)-4-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 12
Patents: 271.12085 Da
Monoisotopic Mass: 3.3
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	161.6
[M+Na]+	294.110068	169.1
[M-H]-	270.113574	168.8
[M+NH4]+	289.154673	177.8
[M+K]+	310.084008	166.5
[M+H-H2O]+	254.118110	153.7
[M+HCOO]-	316.119051	186.2
[M+CH3COO]-	330.134701	202.0
[M+Na-2H]-	292.095516	165.6
[M]+	271.12030142	164.7
[M]-	271.12139858	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe