CID 828047

202191-12-6

Structural Information

Molecular Formula

C₁₂H₁₀N₂O

SMILES

C1COC(=N1)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C12H10N2O/c1-2-4-10-9(3-1)5-6-11(14-10)12-13-7-8-15-12/h1-6H,7-8H2

InChIKey

USDSJWOYSHFPND-UHFFFAOYSA-N

Compound name

2-quinolin-2-yl-4,5-dihydro-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 39
Patents: 198.07932 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]+	199.08660	140.1
[M+Na]+	221.06854	149.1
[M-H]-	197.07204	145.7
[M+NH4]+	216.11314	157.9
[M+K]+	237.04248	146.4
[M+H-H2O]+	181.07658	131.8
[M+HCOO]-	243.07752	161.0
[M+CH3COO]-	257.09317	153.5
[M+Na-2H]-	219.05399	148.3
[M]+	198.07877	140.0
[M]-	198.07987	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe