CID 65834

Dexnafenodone

Structural Information

Molecular Formula

C₂₀H₂₃NO

SMILES

CN(C)CC[C@@]1(CCC2=CC=CC=C2C1=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23NO/c1-21(2)15-14-20(17-9-4-3-5-10-17)13-12-16-8-6-7-11-18(16)19(20)22/h3-11H,12-15H2,1-2H3/t20-/m0/s1

InChIKey

IOKKIRANVRFSAH-FQEVSTJZSA-N

Compound name

(2S)-2-[2-(dimethylamino)ethyl]-2-phenyl-3,4-dihydronaphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 38
Patents: 293.17798 Da
Monoisotopic Mass: 3.9
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]+	294.185256	170.9
[M+Na]+	316.167198	176.6
[M-H]-	292.170704	179.0
[M+NH4]+	311.211803	189.3
[M+K]+	332.141138	172.5
[M+H-H2O]+	276.175240	162.2
[M+HCOO]-	338.176181	192.0
[M+CH3COO]-	352.191831	209.6
[M+Na-2H]-	314.152646	175.9
[M]+	293.17743142	170.0
[M]-	293.17852858	170.0

Literature stripe

literature stripe

Patent stripe

patents stripe