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 161.4
[M+Na]+ 295.06422 172.1
[M+NH4]+ 290.10882 169.8
[M+K]+ 311.03816 163.1
[M-H]- 271.06772 164.6
[M+Na-2H]- 293.04967 167.1
[M]+ 272.07445 164.4
[M]- 272.07555 164.4
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.