CID 11572784

Seridopidine

Structural Information

Molecular Formula

C₁₄H₂₀FNO₂S

SMILES

CCN1CCC(CC1)C2=CC(=CC(=C2)S(=O)(=O)C)F

InChI

InChI=1S/C14H20FNO2S/c1-3-16-6-4-11(5-7-16)12-8-13(15)10-14(9-12)19(2,17)18/h8-11H,3-7H2,1-2H3

InChIKey

PHRDGRSMZPOCAB-UHFFFAOYSA-N

Compound name

1-ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 285.11987 Da
Monoisotopic Mass: 2.2
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]+	286.12715	163.0
[M+Na]+	308.10909	170.3
[M-H]-	284.11259	166.7
[M+NH4]+	303.15369	178.2
[M+K]+	324.08303	165.9
[M+H-H2O]+	268.11713	154.9
[M+HCOO]-	330.11807	174.8
[M+CH3COO]-	344.13372	198.4
[M+Na-2H]-	306.09454	163.3
[M]+	285.11932	161.7
[M]-	285.12042	161.7

Literature stripe

literature stripe

Patent stripe

patents stripe