CID 9588605

Ethanimidothioic acid, n-(((methyl((2-pyridinylmethoxy)sulfinyl)amino)carbonyl)oxy)-, methyl ester

Structural Information

Molecular Formula
C11H15N3O4S2
SMILES
C/C(=N\OC(=O)N(C)S(=O)OCC1=CC=CC=N1)/SC
InChI
InChI=1S/C11H15N3O4S2/c1-9(19-3)13-18-11(15)14(2)20(16)17-8-10-6-4-5-7-12-10/h4-7H,8H2,1-3H3/b13-9+
InChIKey
UGEWQMYCDUPPGT-UKTHLTGXSA-N
Compound name
methyl (1E)-N-[methyl(pyridin-2-ylmethoxysulfinyl)carbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.05038 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.057656 169.2
[M+Na]+ 340.039598 173.9
[M-H]- 316.043104 173.2
[M+NH4]+ 335.084203 182.9
[M+K]+ 356.013538 172.3
[M+H-H2O]+ 300.047640 160.5
[M+HCOO]- 362.048581 182.6
[M+CH3COO]- 376.064231 209.4
[M+Na-2H]- 338.025046 169.5
[M]+ 317.04983142 175.8
[M]- 317.05092858 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.