CID 79277

5339-46-8

Structural Information

Molecular Formula
C21H44N2S
SMILES
CCCCCCCCCCCCCCCCSC(=NCC)NCC
InChI
InChI=1S/C21H44N2S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21(22-5-2)23-6-3/h4-20H2,1-3H3,(H,22,23)
InChIKey
XGIDGJASGYIQDR-UHFFFAOYSA-N
Compound name
hexadecyl N,N'-diethylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.3225 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.32978 196.7
[M+Na]+ 379.31172 196.5
[M-H]- 355.31522 195.5
[M+NH4]+ 374.35632 210.5
[M+K]+ 395.28566 191.9
[M+H-H2O]+ 339.31976 188.0
[M+HCOO]- 401.32070 212.7
[M+CH3COO]- 415.33635 226.2
[M+Na-2H]- 377.29717 192.7
[M]+ 356.32195 204.2
[M]- 356.32305 204.2
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.