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 171.2
[M+Na]+ 323.11886 176.1
[M-H]- 299.12236 180.1
[M+NH4]+ 318.16346 187.1
[M+K]+ 339.09280 173.6
[M+H-H2O]+ 283.12690 162.2
[M+HCOO]- 345.12784 191.5
[M+CH3COO]- 359.14349 213.8
[M+Na-2H]- 321.10431 172.4
[M]+ 300.12909 174.9
[M]- 300.13019 174.9
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.