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
8
Annotation Hits

1947
References

20661
Patents

273.08234 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08962 161.8
[M+Na]+ 296.07156 166.8
[M-H]- 272.07506 167.5
[M+NH4]+ 291.11616 177.0
[M+K]+ 312.04550 162.6
[M+H-H2O]+ 256.07960 154.0
[M+HCOO]- 318.08054 178.7
[M+CH3COO]- 332.09619 198.1
[M+Na-2H]- 294.05701 162.5
[M]+ 273.08179 161.3
[M]- 273.08289 161.3
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.