CID 3033226

Adrafinil

Structural Information

Molecular Formula
C15H15NO3S
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)NO
InChI
InChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17)
InChIKey
CGNMLOKEMNBUAI-UHFFFAOYSA-N
Compound name
2-benzhydrylsulfinyl-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

41
References

3661
Patents

289.07727 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.08455 164.6
[M+Na]+ 312.06649 169.0
[M-H]- 288.06999 169.4
[M+NH4]+ 307.11109 178.7
[M+K]+ 328.04043 165.0
[M+H-H2O]+ 272.07453 156.9
[M+HCOO]- 334.07547 180.9
[M+CH3COO]- 348.09112 197.7
[M+Na-2H]- 310.05194 166.1
[M]+ 289.07672 164.6
[M]- 289.07782 164.6
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