CID 58631

101651-69-8

Structural Information

Molecular Formula
C14H20Cl2N2OS
SMILES
CCN(CC)CCSCC(=O)NC1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C14H20Cl2N2OS/c1-3-18(4-2)8-9-20-10-13(19)17-14-11(15)6-5-7-12(14)16/h5-7H,3-4,8-10H2,1-2H3,(H,17,19)
InChIKey
HAUNPEDICOSPOR-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.06735 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.07463 174.8
[M+Na]+ 357.05657 181.2
[M-H]- 333.06007 178.9
[M+NH4]+ 352.10117 190.9
[M+K]+ 373.03051 175.5
[M+H-H2O]+ 317.06461 169.5
[M+HCOO]- 379.06555 184.6
[M+CH3COO]- 393.08120 214.7
[M+Na-2H]- 355.04202 173.8
[M]+ 334.06680 182.1
[M]- 334.06790 182.1
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.