CID 9795739

Pridopidine

Structural Information

Molecular Formula

C₁₅H₂₃NO₂S

SMILES

CCCN1CCC(CC1)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C15H23NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-6,12-13H,3,7-11H2,1-2H3

InChIKey

YGKUEOZJFIXDGI-UHFFFAOYSA-N

Compound name

4-(3-methylsulfonylphenyl)-1-propylpiperidine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 77
References: 1057
Patents: 281.14496 Da
Monoisotopic Mass: 2.6
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]+	282.152236	165.0
[M+Na]+	304.134178	171.0
[M-H]-	280.137684	169.7
[M+NH4]+	299.178783	180.1
[M+K]+	320.108118	166.8
[M+H-H2O]+	264.142220	157.5
[M+HCOO]-	326.143161	177.7
[M+CH3COO]-	340.158811	197.6
[M+Na-2H]-	302.119626	166.1
[M]+	281.14441142	164.7
[M]-	281.14550858	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe