CID 664510

847163-28-4

Structural Information

Molecular Formula

C₁₅H₁₁N₃O

SMILES

CNC1=C(N=C(O1)C2=CC=CC3=CC=CC=C32)C#N

InChI

InChI=1S/C15H11N3O/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3

InChIKey

DYXYXTDIFMDJIR-UHFFFAOYSA-N

Compound name

5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 27
Patents: 249.09021 Da
Monoisotopic Mass: 4.2
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]+	250.09749	160.1
[M+Na]+	272.07943	175.0
[M+NH4]+	267.12403	165.5
[M+K]+	288.05337	165.5
[M-H]-	248.08293	158.6
[M+Na-2H]-	270.06488	165.8
[M]+	249.08966	161.2
[M]-	249.09076	161.2

Literature stripe

literature stripe

Patent stripe

patents stripe