CID 4115925

N-{1-[(2,5-dimethylphenyl)amino]-2-oxo-2-phenylethyl}-4-methylbenzamide

Structural Information

Molecular Formula

C₂₄H₂₄N₂O₂

SMILES

CC1=CC=C(C=C1)C(=O)NC(C(=O)C2=CC=CC=C2)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C24H24N2O2/c1-16-10-13-20(14-11-16)24(28)26-23(22(27)19-7-5-4-6-8-19)25-21-15-17(2)9-12-18(21)3/h4-15,23,25H,1-3H3,(H,26,28)

InChIKey

OZXBHLUWCIZRHU-UHFFFAOYSA-N

Compound name

N-[1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]-4-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 372.18378 Da
Monoisotopic Mass: 6.1
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]+	373.191056	192.1
[M+Na]+	395.172998	196.0
[M-H]-	371.176504	201.3
[M+NH4]+	390.217603	202.7
[M+K]+	411.146938	191.1
[M+H-H2O]+	355.181040	181.9
[M+HCOO]-	417.181981	214.0
[M+CH3COO]-	431.197631	225.9
[M+Na-2H]-	393.158446	192.4
[M]+	372.18323142	191.1
[M]-	372.18432858	191.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.