CID 393783

Nsc696470

Structural Information

Molecular Formula
C16H24O2S3
SMILES
CC1(C(=O)C(C12SC3(C(C(=O)C3(C)C)(C)C)SS2)(C)C)C
InChI
InChI=1S/C16H24O2S3/c1-11(2)9(17)12(3,4)15(11)19-16(21-20-15)13(5,6)10(18)14(16,7)8/h1-8H3
InChIKey
WJYASVVSSKVWSY-UHFFFAOYSA-N
Compound name
1,1,3,3,7,7,9,9-octamethyl-5,10,11-trithiadispiro[3.1.36.24]undecane-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.09384 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10112 147.5
[M+Na]+ 367.08306 150.0
[M-H]- 343.08656 151.2
[M+NH4]+ 362.12766 159.7
[M+K]+ 383.05700 150.1
[M+H-H2O]+ 327.09110 140.6
[M+HCOO]- 389.09204 147.2
[M+CH3COO]- 403.10769 219.0
[M+Na-2H]- 365.06851 152.1
[M]+ 344.09329 166.6
[M]- 344.09439 166.6
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.