CID 3053720

Acetamide, 2-(bis(phenylmethyl)amino)-n-(3,4-dimethyl-5-isoxazolyl)-, monohydrochloride

Structural Information

Molecular Formula

C₂₁H₂₃N₃O₂

SMILES

CC1=C(ON=C1C)NC(=O)CN(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c1-16-17(2)23-26-21(16)22-20(25)15-24(13-18-9-5-3-6-10-18)14-19-11-7-4-8-12-19/h3-12H,13-15H2,1-2H3,(H,22,25)

InChIKey

OLYYTACMXQQTAU-UHFFFAOYSA-N

Compound name

2-(dibenzylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 349.17902 Da
Monoisotopic Mass: 3.7
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]+	350.186296	186.1
[M+Na]+	372.168238	191.0
[M-H]-	348.171744	196.4
[M+NH4]+	367.212843	197.7
[M+K]+	388.142178	188.2
[M+H-H2O]+	332.176280	175.7
[M+HCOO]-	394.177221	210.1
[M+CH3COO]-	408.192871	220.3
[M+Na-2H]-	370.153686	188.5
[M]+	349.17847142	188.9
[M]-	349.17956858	188.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.