CID 19536

Phenylacetylglycine dimethylamide

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

CC(=O)N(CC(=O)N(C)C)C1=CC=CC=C1

InChI

InChI=1S/C12H16N2O2/c1-10(15)14(9-12(16)13(2)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3

InChIKey

KEVKBVWYVMVEBG-UHFFFAOYSA-N

Compound name

2-(N-acetylanilino)-N,N-dimethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 20
Patents: 220.12119 Da
Monoisotopic Mass: 0.8
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]+	221.12847	150.9
[M+Na]+	243.11041	155.7
[M-H]-	219.11391	157.0
[M+NH4]+	238.15501	169.6
[M+K]+	259.08435	156.7
[M+H-H2O]+	203.11845	143.5
[M+HCOO]-	265.11939	176.4
[M+CH3COO]-	279.13504	199.9
[M+Na-2H]-	241.09586	154.1
[M]+	220.12064	152.9
[M]-	220.12174	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe