CID 39544

49830-98-0

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₂

SMILES

C1CCN(CC1)CC(=O)N2CCOC3=CC=CC=C32

InChI

InChI=1S/C15H20N2O2/c18-15(12-16-8-4-1-5-9-16)17-10-11-19-14-7-3-2-6-13(14)17/h2-3,6-7H,1,4-5,8-12H2

InChIKey

OEFADKPKXPNUFW-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 260.15247 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]+	261.159746	161.2
[M+Na]+	283.141688	164.5
[M-H]-	259.145194	164.6
[M+NH4]+	278.186293	173.8
[M+K]+	299.115628	162.2
[M+H-H2O]+	243.149730	151.2
[M+HCOO]-	305.150671	173.7
[M+CH3COO]-	319.166321	170.3
[M+Na-2H]-	281.127136	165.3
[M]+	260.15192142	155.4
[M]-	260.15301858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe