CID 6152728

Brn 2168574

Structural Information

Molecular Formula
C10H18N4O5S2
SMILES
CN(C)C(=O)/C(=N/OC(=O)N(C)SN(C)C(=O)OC)/SC
InChI
InChI=1S/C10H18N4O5S2/c1-12(2)8(15)7(20-6)11-19-10(17)14(4)21-13(3)9(16)18-5/h1-6H3/b11-7-
InChIKey
YTYMBOZMZJZVAY-XFFZJAGNSA-N
Compound name
methyl (1Z)-2-(dimethylamino)-N-[[methoxycarbonyl(methyl)amino]sulfanyl-methylcarbamoyl]oxy-2-oxoethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.07187 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07915 178.2
[M+Na]+ 361.06109 179.9
[M-H]- 337.06459 182.4
[M+NH4]+ 356.10569 192.6
[M+K]+ 377.03503 182.3
[M+H-H2O]+ 321.06913 169.0
[M+HCOO]- 383.07007 192.7
[M+CH3COO]- 397.08572 224.4
[M+Na-2H]- 359.04654 175.4
[M]+ 338.07132 186.6
[M]- 338.07242 186.6
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.