CID 58618

101651-61-0

Structural Information

Molecular Formula
C14H21ClN2OS
SMILES
CCN(CC)CCSCC(=O)NC1=CC=CC=C1Cl
InChI
InChI=1S/C14H21ClN2OS/c1-3-17(4-2)9-10-19-11-14(18)16-13-8-6-5-7-12(13)15/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKey
HSOILNAMJORLRC-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.10632 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11360 170.1
[M+Na]+ 323.09554 180.4
[M+NH4]+ 318.14014 178.2
[M+K]+ 339.06948 171.0
[M-H]- 299.09904 173.3
[M+Na-2H]- 321.08099 175.4
[M]+ 300.10577 173.1
[M]- 300.10687 173.1
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.