CID 57131

Af 521

Structural Information

Molecular Formula

C₁₃H₁₇N₃O

SMILES

CCN(CC)CC1=NC(=NO1)C2=CC=CC=C2

InChI

InChI=1S/C13H17N3O/c1-3-16(4-2)10-12-14-13(15-17-12)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3

InChIKey

WBUNNBSMSHEHOH-UHFFFAOYSA-N

Compound name

N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 231.13716 Da
Monoisotopic Mass: 2.4
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]+	232.14444	153.0
[M+Na]+	254.12638	165.9
[M+NH4]+	249.17098	160.9
[M+K]+	270.10032	161.2
[M-H]-	230.12988	157.9
[M+Na-2H]-	252.11183	160.9
[M]+	231.13661	156.2
[M]-	231.13771	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe