CID 214442

2-(2-((2-(dimethylamino)ethyl)amino)ethyl)-4,5-diphenyloxazole dihydrochloride

Structural Information

Molecular Formula

C₂₁H₂₅N₃O

SMILES

CN(C)CCNCCC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O/c1-24(2)16-15-22-14-13-19-23-20(17-9-5-3-6-10-17)21(25-19)18-11-7-4-8-12-18/h3-12,22H,13-16H2,1-2H3

InChIKey

SNHPXGRYFHACBK-UHFFFAOYSA-N

Compound name

N-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 335.19977 Da
Monoisotopic Mass: 4.3
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]+	336.207046	183.0
[M+Na]+	358.188988	188.0
[M-H]-	334.192494	193.0
[M+NH4]+	353.233593	195.3
[M+K]+	374.162928	184.6
[M+H-H2O]+	318.197030	172.5
[M+HCOO]-	380.197971	207.6
[M+CH3COO]-	394.213621	218.7
[M+Na-2H]-	356.174436	186.4
[M]+	335.19922142	185.8
[M]-	335.20031858	185.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.