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
1
Annotation Hits

6
References

3
Patents

293.17798 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 171.6
[M+Na]+ 316.16720 186.0
[M+NH4]+ 311.21180 182.9
[M+K]+ 332.14114 174.6
[M-H]- 292.17070 178.3
[M+Na-2H]- 314.15265 181.9
[M]+ 293.17743 175.9
[M]- 293.17853 175.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe