CID 3009807

2-[[6-(2-hydroxyethoxymethyl)-1,1,3-trioxo-1,2,6-thiadiazin-2-yl]methoxy]ethyl acetate

Structural Information

Molecular Formula
C11H18N2O8S
SMILES
CC(=O)OCCOCN1C(=O)C=CN(S1(=O)=O)COCCO
InChI
InChI=1S/C11H18N2O8S/c1-10(15)21-7-6-20-9-13-11(16)2-3-12(22(13,17)18)8-19-5-4-14/h2-3,14H,4-9H2,1H3
InChIKey
NUEWHHNKOVHCMN-UHFFFAOYSA-N
Compound name
2-[[6-(2-hydroxyethoxymethyl)-1,1,3-trioxo-1,2,6-thiadiazin-2-yl]methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.0784 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08568 166.6
[M+Na]+ 361.06762 173.4
[M-H]- 337.07112 165.7
[M+NH4]+ 356.11222 178.9
[M+K]+ 377.04156 172.3
[M+H-H2O]+ 321.07566 160.0
[M+HCOO]- 383.07660 179.6
[M+CH3COO]- 397.09225 201.9
[M+Na-2H]- 359.05307 168.3
[M]+ 338.07785 175.3
[M]- 338.07895 175.3
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.