CID 94871

2,4-diacetylaminotoluene

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

CC1=C(C=C(C=C1)NC(=O)C)NC(=O)C

InChI

InChI=1S/C11H14N2O2/c1-7-4-5-10(12-8(2)14)6-11(7)13-9(3)15/h4-6H,1-3H3,(H,12,14)(H,13,15)

InChIKey

XAHUNQAOCGDSBW-UHFFFAOYSA-N

Compound name

N-(3-acetamido-4-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 53
Patents: 206.10553 Da
Monoisotopic Mass: 0.4
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]+	207.11281	146.8
[M+Na]+	229.09475	157.0
[M+NH4]+	224.13935	153.7
[M+K]+	245.06869	152.1
[M-H]-	205.09825	148.7
[M+Na-2H]-	227.08020	151.9
[M]+	206.10498	148.4
[M]-	206.10608	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe