CID 215518

N-(2-(dimethylamino)ethyl)-2-((4-methylphenyl)thio)acetamide monohydrochloride

Structural Information

Molecular Formula
C13H20N2OS
SMILES
CC1=CC=C(C=C1)SCC(=O)NCCN(C)C
InChI
InChI=1S/C13H20N2OS/c1-11-4-6-12(7-5-11)17-10-13(16)14-8-9-15(2)3/h4-7H,8-10H2,1-3H3,(H,14,16)
InChIKey
OOQHZNPVUALYCZ-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12964 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13692 159.1
[M+Na]+ 275.11886 164.2
[M-H]- 251.12236 163.7
[M+NH4]+ 270.16346 176.9
[M+K]+ 291.09280 161.8
[M+H-H2O]+ 235.12690 151.6
[M+HCOO]- 297.12784 178.7
[M+CH3COO]- 311.14349 202.8
[M+Na-2H]- 273.10431 160.2
[M]+ 252.12909 162.7
[M]- 252.13019 162.7
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.