CID 13738

Oxolamine

Structural Information

Molecular Formula

C₁₄H₁₉N₃O

SMILES

CCN(CC)CCC1=NC(=NO1)C2=CC=CC=C2

InChI

InChI=1S/C14H19N3O/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3

InChIKey

IDCHQQSVJAAUQQ-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 47
References: 890
Patents: 245.15282 Da
Monoisotopic Mass: 2.9
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]+	246.160096	157.8
[M+Na]+	268.142038	164.6
[M-H]-	244.145544	163.6
[M+NH4]+	263.186643	173.2
[M+K]+	284.115978	163.3
[M+H-H2O]+	228.150080	148.4
[M+HCOO]-	290.151021	181.1
[M+CH3COO]-	304.166671	198.6
[M+Na-2H]-	266.127486	162.9
[M]+	245.15227142	161.6
[M]-	245.15336858	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe