CID 9587989

Brn 2169571

Structural Information

Molecular Formula
C11H20N4O5S2
SMILES
CCOC(=O)N(C)SN(C)C(=O)O/N=C(/C(=O)N(C)C)\SC
InChI
InChI=1S/C11H20N4O5S2/c1-7-19-10(17)14(4)22-15(5)11(18)20-12-8(21-6)9(16)13(2)3/h7H2,1-6H3/b12-8-
InChIKey
VJUZLFHFHRTQCQ-WQLSENKSSA-N
Compound name
methyl (1Z)-2-(dimethylamino)-N-[[ethoxycarbonyl(methyl)amino]sulfanyl-methylcarbamoyl]oxy-2-oxoethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.08752 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.09480 182.5
[M+Na]+ 375.07674 183.7
[M-H]- 351.08024 186.5
[M+NH4]+ 370.12134 196.4
[M+K]+ 391.05068 185.9
[M+H-H2O]+ 335.08478 173.1
[M+HCOO]- 397.08572 196.7
[M+CH3COO]- 411.10137 227.2
[M+Na-2H]- 373.06219 179.3
[M]+ 352.08697 191.2
[M]- 352.08807 191.2
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.