CID 9578354

Dimethyl n,n'-(dithiobis((methylimino)carbonyloxy))bisethanimidothioate

Structural Information

Molecular Formula
C10H18N4O4S4
SMILES
C/C(=N/OC(=O)N(SSN(C(=O)O/N=C(\SC)/C)C)C)/SC
InChI
InChI=1S/C10H18N4O4S4/c1-7(19-5)11-17-9(15)13(3)21-22-14(4)10(16)18-12-8(2)20-6/h1-6H3/b11-7-,12-8-
InChIKey
FNYBYRIYRLOALN-OXAWKVHCSA-N
Compound name
methyl (1Z)-N-[methyl-[[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylamino]disulfanyl]carbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.0211 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.02838 188.8
[M+Na]+ 409.01032 188.9
[M-H]- 385.01382 189.4
[M+NH4]+ 404.05492 199.6
[M+K]+ 424.98426 184.0
[M+H-H2O]+ 369.01836 178.3
[M+HCOO]- 431.01930 189.8
[M+CH3COO]- 445.03495 229.9
[M+Na-2H]- 406.99577 187.5
[M]+ 386.02055 192.0
[M]- 386.02165 192.0
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.