CID 11370864

Tesofensine

Structural Information

Molecular Formula
C17H23Cl2NO
SMILES
CCOC[C@H]1[C@H]2CC[C@H](N2C)C[C@@H]1C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H23Cl2NO/c1-3-21-10-14-13(9-12-5-7-17(14)20(12)2)11-4-6-15(18)16(19)8-11/h4,6,8,12-14,17H,3,5,7,9-10H2,1-2H3/t12-,13+,14+,17+/m0/s1
InChIKey
VCVWXKKWDOJNIT-ZOMKSWQUSA-N
Compound name
(1R,2R,3S,5S)-3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

56
References

5336
Patents

327.11566 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12294 179.3
[M+Na]+ 350.10488 187.8
[M-H]- 326.10838 182.6
[M+NH4]+ 345.14948 197.3
[M+K]+ 366.07882 180.8
[M+H-H2O]+ 310.11292 173.0
[M+HCOO]- 372.11386 186.2
[M+CH3COO]- 386.12951 189.3
[M+Na-2H]- 348.09033 177.8
[M]+ 327.11511 182.0
[M]- 327.11621 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.