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 169.6
[M+Na]+ 323.09554 174.9
[M-H]- 299.09904 173.9
[M+NH4]+ 318.14014 186.3
[M+K]+ 339.06948 170.4
[M+H-H2O]+ 283.10358 163.0
[M+HCOO]- 345.10452 184.4
[M+CH3COO]- 359.12017 209.4
[M+Na-2H]- 321.08099 169.8
[M]+ 300.10577 175.6
[M]- 300.10687 175.6
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

patents stripe