CID 9588606

N-(((methyl((3-pyridinylmethoxy)sulfinyl)amino)carbonyl)oxy)ethanimidothioic acid methyl ester

Structural Information

Molecular Formula
C11H15N3O4S2
SMILES
C/C(=N\OC(=O)N(C)S(=O)OCC1=CN=CC=C1)/SC
InChI
InChI=1S/C11H15N3O4S2/c1-9(19-3)13-18-11(15)14(2)20(16)17-8-10-5-4-6-12-7-10/h4-7H,8H2,1-3H3/b13-9+
InChIKey
IOVWHYQTENIEKT-UKTHLTGXSA-N
Compound name
methyl (1E)-N-[methyl(pyridin-3-ylmethoxysulfinyl)carbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.05038 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.05766 169.2
[M+Na]+ 340.03960 173.9
[M-H]- 316.04310 173.2
[M+NH4]+ 335.08420 182.9
[M+K]+ 356.01354 172.3
[M+H-H2O]+ 300.04764 160.5
[M+HCOO]- 362.04858 182.6
[M+CH3COO]- 376.06423 209.4
[M+Na-2H]- 338.02505 169.5
[M]+ 317.04983 175.8
[M]- 317.05093 175.8
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.