CID 201902

Brn 1217439

Structural Information

Molecular Formula

C₁₄H₁₇NO₂

SMILES

C1CC(=O)N2CCCOC2(C1)C3=CC=CC=C3

InChI

InChI=1S/C14H17NO2/c16-13-8-4-9-14(12-6-2-1-3-7-12)15(13)10-5-11-17-14/h1-3,6-7H,4-5,8-11H2

InChIKey

JAYUUVKVDZGYBL-UHFFFAOYSA-N

Compound name

9a-phenyl-2,3,4,7,8,9-hexahydropyrido[2,1-b][1,3]oxazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 231.12593 Da
Monoisotopic Mass: 1.6
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]+	232.13321	152.1
[M+Na]+	254.11515	157.2
[M-H]-	230.11865	157.6
[M+NH4]+	249.15975	169.5
[M+K]+	270.08909	155.2
[M+H-H2O]+	214.12319	143.5
[M+HCOO]-	276.12413	167.4
[M+CH3COO]-	290.13978	163.1
[M+Na-2H]-	252.10060	159.0
[M]+	231.12538	146.5
[M]-	231.12648	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe