CID 57949

C 5458

Structural Information

Molecular Formula
C13H19ClN2OS
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)CSCCN(C)C
InChI
InChI=1S/C13H19ClN2OS/c1-10-5-4-6-11(14)13(10)15-12(17)9-18-8-7-16(2)3/h4-6H,7-9H2,1-3H3,(H,15,17)
InChIKey
FPWNQEZLBGMHJV-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.09067 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09795 166.1
[M+Na]+ 309.07989 176.9
[M+NH4]+ 304.12449 174.3
[M+K]+ 325.05383 167.9
[M-H]- 285.08339 169.3
[M+Na-2H]- 307.06534 171.3
[M]+ 286.09012 169.2
[M]- 286.09122 169.2
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.