CID 94015

58306-67-5

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₂S

SMILES

COCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N

InChI

InChI=1S/C15H16N2O2S/c1-19-10-15(18)17-14-9-12(7-8-13(14)16)20-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3,(H,17,18)

InChIKey

CTJWFLXXSAXYMS-UHFFFAOYSA-N

Compound name

N-(2-amino-5-phenylsulfanylphenyl)-2-methoxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 288.09326 Da
Monoisotopic Mass: 2.4
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]+	289.100536	164.7
[M+Na]+	311.082478	171.0
[M-H]-	287.085984	170.9
[M+NH4]+	306.127083	179.8
[M+K]+	327.056418	166.3
[M+H-H2O]+	271.090520	156.6
[M+HCOO]-	333.091461	184.4
[M+CH3COO]-	347.107111	203.8
[M+Na-2H]-	309.067926	166.9
[M]+	288.09271142	166.0
[M]-	288.09380858	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe