CID 53728

2-(dimethylamino)-n-methyl-4'-(phenylthio)acetanilide oxalate

Structural Information

Molecular Formula
C17H20N2OS
SMILES
CN(C)CC(=O)N(C)C1=CC=C(C=C1)SC2=CC=CC=C2
InChI
InChI=1S/C17H20N2OS/c1-18(2)13-17(20)19(3)14-9-11-16(12-10-14)21-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3
InChIKey
MBDJAKLKVMNKMC-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-methyl-N-(4-phenylsulfanylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.12964 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13692 169.7
[M+Na]+ 323.11886 181.8
[M+NH4]+ 318.16346 178.7
[M+K]+ 339.09280 172.7
[M-H]- 299.12236 176.1
[M+Na-2H]- 321.10431 178.9
[M]+ 300.12909 173.8
[M]- 300.13019 173.8
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.