CID 4236

Modafinil

Structural Information

Molecular Formula

C₁₅H₁₅NO₂S

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N

InChI

InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)

InChIKey

YFGHCGITMMYXAQ-UHFFFAOYSA-N

Compound name

2-benzhydrylsulfinylacetamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1941
References: 20695
Patents: 273.08234 Da
Monoisotopic Mass: 1.7
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]+	274.08962	159.9
[M+Na]+	296.07156	171.5
[M+NH4]+	291.11616	167.9
[M+K]+	312.04550	163.5
[M-H]-	272.07506	164.0
[M+Na-2H]-	294.05701	167.9
[M]+	273.08179	163.1
[M]-	273.08289	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe