CID 836331

2,2',6'-trimethylbenzanilide

Structural Information

Molecular Formula

C₁₆H₁₇NO

SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C16H17NO/c1-11-7-4-5-10-14(11)16(18)17-15-12(2)8-6-9-13(15)3/h4-10H,1-3H3,(H,17,18)

InChIKey

LJKPEPJBLNQBBK-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)-2-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 239.13101 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]+	240.13829	154.9
[M+Na]+	262.12023	162.7
[M-H]-	238.12373	162.2
[M+NH4]+	257.16483	172.6
[M+K]+	278.09417	158.8
[M+H-H2O]+	222.12827	147.6
[M+HCOO]-	284.12921	179.1
[M+CH3COO]-	298.14486	197.7
[M+Na-2H]-	260.10568	158.9
[M]+	239.13046	155.2
[M]-	239.13156	155.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.