CID 3055928

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

Structural Information

Molecular Formula
C15H21ClN2O3S
SMILES
CC(C)(C(=O)NCCC(=O)NCCS)OC1=CC=C(C=C1)Cl
InChI
InChI=1S/C15H21ClN2O3S/c1-15(2,21-12-5-3-11(16)4-6-12)14(20)18-8-7-13(19)17-9-10-22/h3-6,22H,7-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKey
CXTAAHSTSVETHS-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-2-methyl-N-[3-oxo-3-(2-sulfanylethylamino)propyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.09613 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10341 181.1
[M+Na]+ 367.08535 189.2
[M+NH4]+ 362.12995 186.9
[M+K]+ 383.05929 182.2
[M-H]- 343.08885 181.7
[M+Na-2H]- 365.07080 184.4
[M]+ 344.09558 182.9
[M]- 344.09668 182.9
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.