CID 57161

97042-54-1

Structural Information

Molecular Formula

C₁₈H₂₂N₂O

SMILES

CCC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C18H22N2O/c1-4-13-6-5-7-16(12(2)3)17(13)20-18(21)14-8-10-15(19)11-9-14/h5-12H,4,19H2,1-3H3,(H,20,21)

InChIKey

FPAXDVIXYPASAK-UHFFFAOYSA-N

Compound name

4-amino-N-(2-ethyl-6-propan-2-ylphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 282.17322 Da
Monoisotopic Mass: 3.1
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]+	283.18050	170.2
[M+Na]+	305.16244	182.5
[M+NH4]+	300.20704	178.0
[M+K]+	321.13638	175.4
[M-H]-	281.16594	175.5
[M+Na-2H]-	303.14789	177.8
[M]+	282.17267	173.4
[M]-	282.17377	173.4

Literature stripe

literature stripe

Patent stripe

patents stripe