CID 3039529

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16095 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16823 168.0
[M+Na]+ 303.15017 172.2
[M-H]- 279.15367 172.1
[M+NH4]+ 298.19477 184.6
[M+K]+ 319.12411 169.3
[M+H-H2O]+ 263.15821 160.0
[M+HCOO]- 325.15915 186.9
[M+CH3COO]- 339.17480 208.8
[M+Na-2H]- 301.13562 168.1
[M]+ 280.16040 172.2
[M]- 280.16150 172.2
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.