CID 15634727

78281-61-5

Structural Information

Molecular Formula
C16H16N2O2S
SMILES
CSC(C1=C(C(=CC=C1)C(=O)C2=CC=CC=C2)N)C(=O)N
InChI
InChI=1S/C16H16N2O2S/c1-21-15(16(18)20)12-9-5-8-11(13(12)17)14(19)10-6-3-2-4-7-10/h2-9,15H,17H2,1H3,(H2,18,20)
InChIKey
FPRGALQPEHLMNK-UHFFFAOYSA-N
Compound name
2-(2-amino-3-benzoylphenyl)-2-methylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

300.09326 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10054 168.3
[M+Na]+ 323.08248 178.7
[M+NH4]+ 318.12708 175.4
[M+K]+ 339.05642 171.6
[M-H]- 299.08598 172.5
[M+Na-2H]- 321.06793 174.8
[M]+ 300.09271 171.2
[M]- 300.09381 171.2
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

patents stripe