CID 3039537

2'-ethyl-2-(2-methylsulfinylethylamino)propionanilide sulfate

Structural Information

Molecular Formula
C14H22N2O2S
SMILES
CCC1=CC=CC=C1NC(=O)C(C)NCCS(=O)C
InChI
InChI=1S/C14H22N2O2S/c1-4-12-7-5-6-8-13(12)16-14(17)11(2)15-9-10-19(3)18/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKey
FENFLYQXPUSRPR-UHFFFAOYSA-N
Compound name
N-(2-ethylphenyl)-2-(2-methylsulfinylethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1402 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14748 166.8
[M+Na]+ 305.12942 170.7
[M-H]- 281.13292 169.6
[M+NH4]+ 300.17402 182.3
[M+K]+ 321.10336 167.6
[M+H-H2O]+ 265.13746 159.2
[M+HCOO]- 327.13840 183.8
[M+CH3COO]- 341.15405 205.4
[M+Na-2H]- 303.11487 165.9
[M]+ 282.13965 168.8
[M]- 282.14075 168.8
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.