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]+ 322.06630 170.9
[M+Na]+ 344.04824 179.3
[M-H]- 320.05174 178.0
[M+NH4]+ 339.09284 186.6
[M+K]+ 360.02218 173.2
[M+H-H2O]+ 304.05628 164.2
[M+HCOO]- 366.05722 185.5
[M+CH3COO]- 380.07287 207.1
[M+Na-2H]- 342.03369 171.9
[M]+ 321.05847 177.0
[M]- 321.05957 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.