CID 209786

20381-04-8

Structural Information

Molecular Formula

C₁₅H₁₉NO₂

SMILES

CC1=CC(=C(C=C1)C23CCC(=O)N2CCCO3)C

InChI

InChI=1S/C15H19NO2/c1-11-4-5-13(12(2)10-11)15-7-6-14(17)16(15)8-3-9-18-15/h4-5,10H,3,6-9H2,1-2H3

InChIKey

XSFAMKAWDRDGMU-UHFFFAOYSA-N

Compound name

8a-(2,4-dimethylphenyl)-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 245.14159 Da
Monoisotopic Mass: 1.9
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]+	246.148866	155.9
[M+Na]+	268.130808	163.5
[M-H]-	244.134314	162.5
[M+NH4]+	263.175413	175.5
[M+K]+	284.104748	161.0
[M+H-H2O]+	228.138850	148.9
[M+HCOO]-	290.139791	173.1
[M+CH3COO]-	304.155441	168.1
[M+Na-2H]-	266.116256	159.4
[M]+	245.14104142	153.8
[M]-	245.14213858	153.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.