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: 26
Patents: 300.09326 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	301.100536	169.4
[M+Na]+	323.082478	174.8
[M-H]-	299.085984	175.0
[M+NH4]+	318.127083	183.4
[M+K]+	339.056418	170.1
[M+H-H2O]+	283.090520	161.5
[M+HCOO]-	345.091461	186.2
[M+CH3COO]-	359.107111	207.9
[M+Na-2H]-	321.067926	167.9
[M]+	300.09271142	168.4
[M]-	300.09380858	168.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe