CID 3009797

Ethyl 2-(2-acetoxyethoxymethyl)-5-amino-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate

Structural Information

Molecular Formula
C11H17N3O7S
SMILES
CCOC(=O)C1=CN(S(=O)(=O)N=C1N)COCCOC(=O)C
InChI
InChI=1S/C11H17N3O7S/c1-3-20-11(16)9-6-14(22(17,18)13-10(9)12)7-19-4-5-21-8(2)15/h6H,3-5,7H2,1-2H3,(H2,12,13)
InChIKey
GZNLSWDQKSWFNC-UHFFFAOYSA-N
Compound name
ethyl 2-(2-acetyloxyethoxymethyl)-5-amino-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.07874 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.08602 167.3
[M+Na]+ 358.06796 174.7
[M-H]- 334.07146 167.8
[M+NH4]+ 353.11256 180.0
[M+K]+ 374.04190 173.8
[M+H-H2O]+ 318.07600 160.4
[M+HCOO]- 380.07694 182.3
[M+CH3COO]- 394.09259 206.5
[M+Na-2H]- 356.05341 168.6
[M]+ 335.07819 175.2
[M]- 335.07929 175.2
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.