CID 79370

5394-72-9

Structural Information

Molecular Formula
C17H36N2S
SMILES
CCCCCCCCCCCCSC(=NCC)NCC
InChI
InChI=1S/C17H36N2S/c1-4-7-8-9-10-11-12-13-14-15-16-20-17(18-5-2)19-6-3/h4-16H2,1-3H3,(H,18,19)
InChIKey
QSCRYTLCDFDBNT-UHFFFAOYSA-N
Compound name
dodecyl N,N'-diethylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.25992 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.267196 179.9
[M+Na]+ 323.249138 181.4
[M-H]- 299.252644 179.5
[M+NH4]+ 318.293743 195.9
[M+K]+ 339.223078 177.7
[M+H-H2O]+ 283.257180 171.9
[M+HCOO]- 345.258121 197.1
[M+CH3COO]- 359.273771 214.3
[M+Na-2H]- 321.234586 177.8
[M]+ 300.25937142 185.9
[M]- 300.26046858 185.9
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.