CID 3039531

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

Structural Information

Molecular Formula
C15H24N2OS
SMILES
CCC1=CC=CC=C1NC(=O)C(C)(C)NCCSC
InChI
InChI=1S/C15H24N2OS/c1-5-12-8-6-7-9-13(12)17-14(18)15(2,3)16-10-11-19-4/h6-9,16H,5,10-11H2,1-4H3,(H,17,18)
InChIKey
BBJZWVJYBSPLLS-UHFFFAOYSA-N
Compound name
N-(2-ethylphenyl)-2-methyl-2-(2-methylsulfanylethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16095 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16823 167.9
[M+Na]+ 303.15017 172.3
[M-H]- 279.15367 170.7
[M+NH4]+ 298.19477 183.9
[M+K]+ 319.12411 168.4
[M+H-H2O]+ 263.15821 160.7
[M+HCOO]- 325.15915 184.8
[M+CH3COO]- 339.17480 205.7
[M+Na-2H]- 301.13562 169.5
[M]+ 280.16040 170.3
[M]- 280.16150 170.3
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.