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 181.2
[M+Na]+ 343.21782 185.6
[M-H]- 319.22132 185.4
[M+NH4]+ 338.26242 196.9
[M+K]+ 359.19176 181.3
[M+H-H2O]+ 303.22586 173.2
[M+HCOO]- 365.22680 198.5
[M+CH3COO]- 379.24245 221.1
[M+Na-2H]- 341.20327 177.9
[M]+ 320.22805 186.3
[M]- 320.22915 186.3
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.