CID 30685

2-(2,6-diethylanilino)-2-oxazoline

Structural Information

Molecular Formula

C₁₃H₁₈N₂O

SMILES

CCC1=C(C(=CC=C1)CC)NC2=NCCO2

InChI

InChI=1S/C13H18N2O/c1-3-10-6-5-7-11(4-2)12(10)15-13-14-8-9-16-13/h5-7H,3-4,8-9H2,1-2H3,(H,14,15)

InChIKey

XCCYBZIZVOJGCL-UHFFFAOYSA-N

Compound name

N-(2,6-diethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 218.1419 Da
Monoisotopic Mass: 2.8
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]+	219.14918	150.9
[M+Na]+	241.13112	163.3
[M+NH4]+	236.17572	159.4
[M+K]+	257.10506	158.2
[M-H]-	217.13462	156.2
[M+Na-2H]-	239.11657	157.9
[M]+	218.14135	154.1
[M]-	218.14245	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe