CID 3050279

Brn 0650994

Structural Information

Molecular Formula

C₁₃H₁₁NO₂

SMILES

C1COC2=CC(=CC(=O)N21)C3=CC=CC=C3

InChI

InChI=1S/C13H11NO2/c15-12-8-11(10-4-2-1-3-5-10)9-13-14(12)6-7-16-13/h1-5,8-9H,6-7H2

InChIKey

CBJLXLAGLBVWAD-UHFFFAOYSA-N

Compound name

7-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 213.07898 Da
Monoisotopic Mass: 1.5
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]+	214.086256	142.9
[M+Na]+	236.068198	152.6
[M-H]-	212.071704	150.3
[M+NH4]+	231.112803	161.8
[M+K]+	252.042138	149.9
[M+H-H2O]+	196.076240	135.7
[M+HCOO]-	258.077181	165.3
[M+CH3COO]-	272.092831	156.9
[M+Na-2H]-	234.053646	150.1
[M]+	213.07843142	143.8
[M]-	213.07952858	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe