CID 3055929

Propanamide, 3-(((4-chlorophenoxy)acetyl)amino)-n-(2-mercaptoethyl)-

Structural Information

Molecular Formula
C13H17ClN2O3S
SMILES
C1=CC(=CC=C1OCC(=O)NCCC(=O)NCCS)Cl
InChI
InChI=1S/C13H17ClN2O3S/c14-10-1-3-11(4-2-10)19-9-13(18)15-6-5-12(17)16-7-8-20/h1-4,20H,5-9H2,(H,15,18)(H,16,17)
InChIKey
MNERFBXQJHZMAD-UHFFFAOYSA-N
Compound name
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-sulfanylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.06485 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07213 171.0
[M+Na]+ 339.05407 179.9
[M+NH4]+ 334.09867 177.4
[M+K]+ 355.02801 172.1
[M-H]- 315.05757 172.3
[M+Na-2H]- 337.03952 174.9
[M]+ 316.06430 173.0
[M]- 316.06540 173.0
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.