CID 6460146

Modafinil sulfone

Structural Information

Molecular Formula
C15H15NO3S
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)(=O)CC(=O)N
InChI
InChI=1S/C15H15NO3S/c16-14(17)11-20(18,19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
InChIKey
ZESNOWZYHYRSRY-UHFFFAOYSA-N
Compound name
2-benzhydrylsulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

151
Patents

289.07727 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.08455 164.8
[M+Na]+ 312.06649 170.6
[M-H]- 288.06999 170.7
[M+NH4]+ 307.11109 179.4
[M+K]+ 328.04043 166.3
[M+H-H2O]+ 272.07453 157.3
[M+HCOO]- 334.07547 181.6
[M+CH3COO]- 348.09112 198.9
[M+Na-2H]- 310.05194 167.6
[M]+ 289.07672 165.1
[M]- 289.07782 165.1
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.