CID 4134159

N-(2,3-dichlorophenyl)-2-[(3-methylphenyl)sulfanyl]acetamide

Structural Information

Molecular Formula
C15H13Cl2NOS
SMILES
CC1=CC(=CC=C1)SCC(=O)NC2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C15H13Cl2NOS/c1-10-4-2-5-11(8-10)20-9-14(19)18-13-7-3-6-12(16)15(13)17/h2-8H,9H2,1H3,(H,18,19)
InChIKey
LMAUVIIHEVHRFC-UHFFFAOYSA-N
Compound name
N-(2,3-dichlorophenyl)-2-(3-methylphenyl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.0095 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.01678 168.5
[M+Na]+ 347.99872 177.7
[M-H]- 324.00222 175.1
[M+NH4]+ 343.04332 184.6
[M+K]+ 363.97266 170.3
[M+H-H2O]+ 308.00676 163.1
[M+HCOO]- 370.00770 178.2
[M+CH3COO]- 384.02335 206.3
[M+Na-2H]- 345.98417 169.2
[M]+ 325.00895 174.0
[M]- 325.01005 174.0
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.