CID 71353

Dapoxetine

Structural Information

Molecular Formula

C₂₁H₂₃NO

SMILES

CN(C)[C@@H](CCOC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21/h3-14,20H,15-16H2,1-2H3/t20-/m0/s1

InChIKey

USRHYDPUVLEVMC-FQEVSTJZSA-N

Compound name

(1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 237
References: 7920
Patents: 305.17798 Da
Monoisotopic Mass: 5.1
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]+	306.18526	174.6
[M+Na]+	328.16720	179.2
[M-H]-	304.17070	182.5
[M+NH4]+	323.21180	190.2
[M+K]+	344.14114	175.4
[M+H-H2O]+	288.17524	165.3
[M+HCOO]-	350.17618	196.9
[M+CH3COO]-	364.19183	212.8
[M+Na-2H]-	326.15265	179.6
[M]+	305.17743	176.3
[M]-	305.17853	176.3

Literature stripe

literature stripe

Patent stripe

patents stripe