CID 1809685

18109-40-5

Structural Information

Molecular Formula

C₂₂H₂₁NO

SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO/c1-16-10-9-11-17(2)21(16)23-22(24)20(18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-15,20H,1-2H3,(H,23,24)

InChIKey

BOWXAAHVYKDRNE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 315.16232 Da
Monoisotopic Mass: 5.1
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]+	316.169596	177.0
[M+Na]+	338.151538	182.1
[M-H]-	314.155044	186.3
[M+NH4]+	333.196143	190.4
[M+K]+	354.125478	176.7
[M+H-H2O]+	298.159580	167.5
[M+HCOO]-	360.160521	199.3
[M+CH3COO]-	374.176171	211.4
[M+Na-2H]-	336.136986	179.7
[M]+	315.16177142	175.6
[M]-	315.16286858	175.6

Literature stripe

literature stripe

Patent stripe

patents stripe