CID 424326

Nsc163376

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₂

SMILES

C1CNCCC1(C2=CC=CC=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C16H22N2O2/c19-15(18-10-12-20-13-11-18)16(6-8-17-9-7-16)14-4-2-1-3-5-14/h1-5,17H,6-13H2

InChIKey

KSXVHBMVDLMAQG-UHFFFAOYSA-N

Compound name

morpholin-4-yl-(4-phenylpiperidin-4-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 58
Patents: 274.16812 Da
Monoisotopic Mass: 0.9
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]+	275.175396	167.1
[M+Na]+	297.157338	168.5
[M-H]-	273.160844	171.1
[M+NH4]+	292.201943	178.8
[M+K]+	313.131278	165.9
[M+H-H2O]+	257.165380	156.8
[M+HCOO]-	319.166321	178.0
[M+CH3COO]-	333.181971	175.0
[M+Na-2H]-	295.142786	170.3
[M]+	274.16757142	157.0
[M]-	274.16866858	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe