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]+ 273.105606 161.3
[M+Na]+ 295.087548 167.9
[M-H]- 271.091054 167.6
[M+NH4]+ 290.132153 177.3
[M+K]+ 311.061488 162.5
[M+H-H2O]+ 255.095590 153.5
[M+HCOO]- 317.096531 180.9
[M+CH3COO]- 331.112181 201.6
[M+Na-2H]- 293.072996 163.4
[M]+ 272.09778142 161.3
[M]- 272.09887858 161.3
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.