CID 3026199

Brn 3367241

Structural Information

Molecular Formula
C19H32N2S
SMILES
CCCCN(CCCC)CC(=S)NC1=C(C=C(C=C1C)C)C
InChI
InChI=1S/C19H32N2S/c1-6-8-10-21(11-9-7-2)14-18(22)20-19-16(4)12-15(3)13-17(19)5/h12-13H,6-11,14H2,1-5H3,(H,20,22)
InChIKey
FTKGLTQZRYHZNA-UHFFFAOYSA-N
Compound name
2-(dibutylamino)-N-(2,4,6-trimethylphenyl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.2286 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.23588 182.9
[M+Na]+ 343.21782 192.6
[M+NH4]+ 338.26242 190.5
[M+K]+ 359.19176 182.7
[M-H]- 319.22132 186.5
[M+Na-2H]- 341.20327 186.8
[M]+ 320.22805 185.7
[M]- 320.22915 185.7
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.