CID 9588325

2,4-thiazolidinedione, 3,5,5-trimethyl-, 2-(o-((((1,1,-dimethylethyl)dithio)methylamino)carbonyl)oxime)

Structural Information

Molecular Formula
C12H21N3O3S3
SMILES
CC1(C(=O)N(/C(=N\OC(=O)N(C)SSC(C)(C)C)/S1)C)C
InChI
InChI=1S/C12H21N3O3S3/c1-11(2,3)20-21-15(7)10(17)18-13-9-14(6)8(16)12(4,5)19-9/h1-7H3/b13-9+
InChIKey
ZYVIHHHZOATYJX-UKTHLTGXSA-N
Compound name
[(E)-(3,5,5-trimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-(tert-butyldisulfanyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.0745 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.08178 176.8
[M+Na]+ 374.06372 182.6
[M-H]- 350.06722 179.7
[M+NH4]+ 369.10832 193.4
[M+K]+ 390.03766 179.2
[M+H-H2O]+ 334.07176 171.5
[M+HCOO]- 396.07270 181.7
[M+CH3COO]- 410.08835 217.2
[M+Na-2H]- 372.04917 176.0
[M]+ 351.07395 182.1
[M]- 351.07505 182.1
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.