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 167.0
[M+Na]+ 340.03960 174.1
[M+NH4]+ 335.08420 172.5
[M+K]+ 356.01354 167.5
[M-H]- 316.04310 167.5
[M+Na-2H]- 338.02505 170.6
[M]+ 317.04983 168.6
[M]- 317.05093 168.6
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.