CID 859483

460734-21-8

Structural Information

Molecular Formula
C15H16N2OS
SMILES
CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2N
InChI
InChI=1S/C15H16N2OS/c1-11-6-8-12(9-7-11)17-15(18)10-19-14-5-3-2-4-13(14)16/h2-9H,10,16H2,1H3,(H,17,18)
InChIKey
OWVFVLMAOGZLSX-UHFFFAOYSA-N
Compound name
2-(2-aminophenyl)sulfanyl-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.09833 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10561 161.6
[M+Na]+ 295.08755 173.9
[M+NH4]+ 290.13215 170.3
[M+K]+ 311.06149 164.6
[M-H]- 271.09105 167.3
[M+Na-2H]- 293.07300 170.0
[M]+ 272.09778 165.4
[M]- 272.09888 165.4
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

No patent data available for this compound.