CID 3066052

109461-24-7

Structural Information

Molecular Formula

C₂₂H₂₃NO

SMILES

CC1(CN(CCO1)CC2=CC=CC=C2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H23NO/c1-22(21-13-7-11-19-10-5-6-12-20(19)21)17-23(14-15-24-22)16-18-8-3-2-4-9-18/h2-13H,14-17H2,1H3

InChIKey

SRDIHNUMONUMQT-UHFFFAOYSA-N

Compound name

4-benzyl-2-methyl-2-naphthalen-1-ylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 317.17798 Da
Monoisotopic Mass: 4.4
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]+	318.185256	178.5
[M+Na]+	340.167198	184.3
[M-H]-	316.170704	187.2
[M+NH4]+	335.211803	192.2
[M+K]+	356.141138	179.4
[M+H-H2O]+	300.175240	167.3
[M+HCOO]-	362.176181	194.7
[M+CH3COO]-	376.191831	188.3
[M+Na-2H]-	338.152646	184.3
[M]+	317.17743142	175.2
[M]-	317.17852858	175.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.