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

136
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

literature stripe

Patent stripe

patents stripe