CID 154699999

Ns00117715

Structural Information

Molecular Formula

C₁₈H₂₂N₂O₂

SMILES

C1CC(C(NC1)C2=CC=CC=C2)NCC3=CC(=CCC3=O)O

InChI

InChI=1S/C18H22N2O2/c21-15-8-9-17(22)14(11-15)12-20-16-7-4-10-19-18(16)13-5-2-1-3-6-13/h1-3,5-6,8,11,16,18-21H,4,7,9-10,12H2

InChIKey

UPDRCHOSPNAMLR-UHFFFAOYSA-N

Compound name

4-hydroxy-2-[[(2-phenylpiperidin-3-yl)amino]methyl]cyclohexa-2,4-dien-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 298.16812 Da
Monoisotopic Mass: 1.4
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]+	299.175396	170.8
[M+Na]+	321.157338	174.0
[M-H]-	297.160844	175.2
[M+NH4]+	316.201943	182.1
[M+K]+	337.131278	167.9
[M+H-H2O]+	281.165380	161.3
[M+HCOO]-	343.166321	186.6
[M+CH3COO]-	357.181971	179.1
[M+Na-2H]-	319.142786	172.7
[M]+	298.16757142	162.3
[M]-	298.16866858	162.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.