CID 2818227

4858-31-5

Structural Information

Molecular Formula
C14H26N2S3
SMILES
CCCCCCCCCCCCSC1=NNC(=S)S1
InChI
InChI=1S/C14H26N2S3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-16-15-13(17)19-14/h2-12H2,1H3,(H,15,17)
InChIKey
WSYQMMUOSGMAAH-UHFFFAOYSA-N
Compound name
5-dodecylsulfanyl-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

318.12582 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.13310 166.9
[M+Na]+ 341.11504 174.1
[M-H]- 317.11854 165.1
[M+NH4]+ 336.15964 181.2
[M+K]+ 357.08898 165.5
[M+H-H2O]+ 301.12308 160.2
[M+HCOO]- 363.12402 170.3
[M+CH3COO]- 377.13967 203.0
[M+Na-2H]- 339.10049 162.3
[M]+ 318.12527 170.5
[M]- 318.12637 170.5
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

patents stripe