CID 9948102

Pitolisant

Structural Information

Molecular Formula
C17H26ClNO
SMILES
C1CCN(CC1)CCCOCCCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
InChIKey
NNACHAUCXXVJSP-UHFFFAOYSA-N
Compound name
1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

134
References

975
Patents

295.1703 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17758 172.0
[M+Na]+ 318.15952 175.8
[M-H]- 294.16302 175.1
[M+NH4]+ 313.20412 186.4
[M+K]+ 334.13346 170.3
[M+H-H2O]+ 278.16756 163.4
[M+HCOO]- 340.16850 185.2
[M+CH3COO]- 354.18415 201.5
[M+Na-2H]- 316.14497 174.1
[M]+ 295.16975 172.1
[M]- 295.17085 172.1
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