CID 19789

N-diethylaminoethylbenzoxazolone hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

CCN(CC)CCN1C2=CC=CC=C2OC1=O

InChI

InChI=1S/C13H18N2O2/c1-3-14(4-2)9-10-15-11-7-5-6-8-12(11)17-13(15)16/h5-8H,3-4,9-10H2,1-2H3

InChIKey

WPVTWBXAFLMBDZ-UHFFFAOYSA-N

Compound name

3-[2-(diethylamino)ethyl]-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 234.13683 Da
Monoisotopic Mass: 2.1
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]+	235.144106	152.1
[M+Na]+	257.126048	161.6
[M-H]-	233.129554	157.9
[M+NH4]+	252.170653	171.1
[M+K]+	273.099988	160.4
[M+H-H2O]+	217.134090	144.9
[M+HCOO]-	279.135031	177.4
[M+CH3COO]-	293.150681	197.0
[M+Na-2H]-	255.111496	158.7
[M]+	234.13628142	159.0
[M]-	234.13737858	159.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.