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]+ 317.072126 169.9
[M+Na]+ 339.054068 175.2
[M-H]- 315.057574 173.0
[M+NH4]+ 334.098673 185.0
[M+K]+ 355.028008 170.6
[M+H-H2O]+ 299.062110 163.5
[M+HCOO]- 361.063051 184.3
[M+CH3COO]- 375.078701 206.5
[M+Na-2H]- 337.039516 170.6
[M]+ 316.06430142 175.7
[M]- 316.06539858 175.7
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.