CID 56968

C 5501

Structural Information

Molecular Formula
C12H17ClN2OS
SMILES
CN(C)CCSCC(=O)NC1=CC=CC=C1Cl
InChI
InChI=1S/C12H17ClN2OS/c1-15(2)7-8-17-9-12(16)14-11-6-4-3-5-10(11)13/h3-6H,7-9H2,1-2H3,(H,14,16)
InChIKey
NXBCTRCHXFWOQX-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.075 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08228 160.7
[M+Na]+ 295.06422 166.9
[M-H]- 271.06772 165.4
[M+NH4]+ 290.10882 178.6
[M+K]+ 311.03816 162.9
[M+H-H2O]+ 255.07226 154.5
[M+HCOO]- 317.07320 176.2
[M+CH3COO]- 331.08885 203.5
[M+Na-2H]- 293.04967 161.9
[M]+ 272.07445 165.9
[M]- 272.07555 165.9
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.