CID 3037286

72453-57-7

Structural Information

Molecular Formula
C18H34N2OS3
SMILES
CCCCCCCCCCCCOC(CCC)N1C(=S)SC(=S)N1
InChI
InChI=1S/C18H34N2OS3/c1-3-5-6-7-8-9-10-11-12-13-15-21-16(14-4-2)20-18(23)24-17(22)19-20/h16H,3-15H2,1-2H3,(H,19,22)
InChIKey
RRGMOIMGKQCAOW-UHFFFAOYSA-N
Compound name
3-(1-dodecoxybutyl)-1,3,4-thiadiazolidine-2,5-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.18332 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19060 191.4
[M+Na]+ 413.17254 198.2
[M+NH4]+ 408.21714 197.1
[M+K]+ 429.14648 187.4
[M-H]- 389.17604 190.8
[M+Na-2H]- 411.15799 190.1
[M]+ 390.18277 193.3
[M]- 390.18387 193.3
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.