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

23
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 169.4
[M+Na]+ 323.08248 174.8
[M-H]- 299.08598 175.0
[M+NH4]+ 318.12708 183.4
[M+K]+ 339.05642 170.1
[M+H-H2O]+ 283.09052 161.5
[M+HCOO]- 345.09146 186.2
[M+CH3COO]- 359.10711 207.9
[M+Na-2H]- 321.06793 167.9
[M]+ 300.09271 168.4
[M]- 300.09381 168.4
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