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
6
Annotation Hits

240
References

7771
Patents

305.17798 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.185256 174.6
[M+Na]+ 328.167198 179.2
[M-H]- 304.170704 182.5
[M+NH4]+ 323.211803 190.2
[M+K]+ 344.141138 175.4
[M+H-H2O]+ 288.175240 165.3
[M+HCOO]- 350.176181 196.9
[M+CH3COO]- 364.191831 212.8
[M+Na-2H]- 326.152646 179.6
[M]+ 305.17743142 176.3
[M]- 305.17852858 176.3
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