CID 3009803

Ethyl 2-(2-hydroxyethoxymethyl)-1,1,5-trioxo-1,2,6-thiadiazine-4-carboxylate

Structural Information

Molecular Formula
C9H14N2O7S
SMILES
CCOC(=O)C1=CN(S(=O)(=O)NC1=O)COCCO
InChI
InChI=1S/C9H14N2O7S/c1-2-18-9(14)7-5-11(6-17-4-3-12)19(15,16)10-8(7)13/h5,12H,2-4,6H2,1H3,(H,10,13)
InChIKey
LEGOGEITZRWOHW-UHFFFAOYSA-N
Compound name
ethyl 2-(2-hydroxyethoxymethyl)-1,1,5-trioxo-1,2,6-thiadiazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.0522 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.05948 157.0
[M+Na]+ 317.04142 164.6
[M-H]- 293.04492 155.2
[M+NH4]+ 312.08602 170.6
[M+K]+ 333.01536 162.4
[M+H-H2O]+ 277.04946 151.2
[M+HCOO]- 339.05040 168.9
[M+CH3COO]- 353.06605 191.5
[M+Na-2H]- 315.02687 158.8
[M]+ 294.05165 161.7
[M]- 294.05275 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.