CID 3039533

2'-ethyl-2-methyl-3-(2-methylthioethylamino)propionanilide hydrochloride

Structural Information

Molecular Formula
C15H24N2OS
SMILES
CCC1=CC=CC=C1NC(=O)C(C)CNCCSC
InChI
InChI=1S/C15H24N2OS/c1-4-13-7-5-6-8-14(13)17-15(18)12(2)11-16-9-10-19-3/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18)
InChIKey
KSOFJBDZXQTYOR-UHFFFAOYSA-N
Compound name
N-(2-ethylphenyl)-2-methyl-3-(2-methylsulfanylethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16095 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16823 167.8
[M+Na]+ 303.15017 171.6
[M-H]- 279.15367 170.5
[M+NH4]+ 298.19477 183.7
[M+K]+ 319.12411 167.8
[M+H-H2O]+ 263.15821 160.2
[M+HCOO]- 325.15915 185.2
[M+CH3COO]- 339.17480 206.2
[M+Na-2H]- 301.13562 167.5
[M]+ 280.16040 170.2
[M]- 280.16150 170.2
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.