CID 79271

Nsc 3519

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.25992 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.26720 180.1
[M+Na]+ 323.24914 186.4
[M+NH4]+ 318.29374 186.8
[M+K]+ 339.22308 176.2
[M-H]- 299.25264 180.9
[M+Na-2H]- 321.23459 181.1
[M]+ 300.25937 181.4
[M]- 300.26047 181.4
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.