CID 3037286

Einecs 276-666-3

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
2
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 186.6
[M+Na]+ 413.17254 192.1
[M-H]- 389.17604 184.2
[M+NH4]+ 408.21714 197.9
[M+K]+ 429.14648 182.8
[M+H-H2O]+ 373.18058 179.4
[M+HCOO]- 435.18152 187.9
[M+CH3COO]- 449.19717 217.0
[M+Na-2H]- 411.15799 179.3
[M]+ 390.18277 191.9
[M]- 390.18387 191.9
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.