CID 603984

2-chloro-n-(4-ethoxyphenyl)-5-(methylthio)benzamide

Structural Information

Molecular Formula
C16H16ClNO2S
SMILES
CCOC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)SC)Cl
InChI
InChI=1S/C16H16ClNO2S/c1-3-20-12-6-4-11(5-7-12)18-16(19)14-10-13(21-2)8-9-15(14)17/h4-10H,3H2,1-2H3,(H,18,19)
InChIKey
NFTGJNJRMWUBPG-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-ethoxyphenyl)-5-methylsulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

321.05902 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.066296 170.9
[M+Na]+ 344.048238 179.3
[M-H]- 320.051744 178.0
[M+NH4]+ 339.092843 186.6
[M+K]+ 360.022178 173.2
[M+H-H2O]+ 304.056280 164.2
[M+HCOO]- 366.057221 185.5
[M+CH3COO]- 380.072871 207.1
[M+Na-2H]- 342.033686 171.9
[M]+ 321.05847142 177.0
[M]- 321.05956858 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.