CID 9576664

Brn 2139031

Structural Information

Molecular Formula
C8H15N3O4S2
SMILES
C/C(=N\OC(=O)N(C)SN(C)C(=O)OC)/SC
InChI
InChI=1S/C8H15N3O4S2/c1-6(16-5)9-15-8(13)11(3)17-10(2)7(12)14-4/h1-5H3/b9-6+
InChIKey
DKGLRDMCMKKGTK-RMKNXTFCSA-N
Compound name
methyl (1E)-N-[[methoxycarbonyl(methyl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.05038 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.05766 163.1
[M+Na]+ 304.03960 166.6
[M-H]- 280.04310 166.5
[M+NH4]+ 299.08420 179.9
[M+K]+ 320.01354 167.6
[M+H-H2O]+ 264.04764 154.8
[M+HCOO]- 326.04858 177.7
[M+CH3COO]- 340.06423 209.5
[M+Na-2H]- 302.02505 161.5
[M]+ 281.04983 170.5
[M]- 281.05093 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

No patent data available for this compound.