CID 79273

5339-44-6

Structural Information

Molecular Formula
C19H40N2S
SMILES
CCCCCCCCCCCCCCSC(=NCC)NCC
InChI
InChI=1S/C19H40N2S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20-5-2)21-6-3/h4-18H2,1-3H3,(H,20,21)
InChIKey
WJDCUDWSLFVTJF-UHFFFAOYSA-N
Compound name
tetradecyl N,N'-diethylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.29123 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.29851 188.3
[M+Na]+ 351.28045 189.0
[M-H]- 327.28395 187.6
[M+NH4]+ 346.32505 203.3
[M+K]+ 367.25439 184.8
[M+H-H2O]+ 311.28849 180.0
[M+HCOO]- 373.28943 204.9
[M+CH3COO]- 387.30508 220.3
[M+Na-2H]- 349.26590 185.3
[M]+ 328.29068 195.1
[M]- 328.29178 195.1
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.