CID 3009805

2,6-bis(2-hydroxyethoxymethyl)-1,1-dioxo-1,2,6-thiadiazin-3-one

Structural Information

Molecular Formula
C9H16N2O7S
SMILES
C1=CN(S(=O)(=O)N(C1=O)COCCO)COCCO
InChI
InChI=1S/C9H16N2O7S/c12-3-5-17-7-10-2-1-9(14)11(19(10,15)16)8-18-6-4-13/h1-2,12-13H,3-8H2
InChIKey
UBSKEXSLSAZMGS-UHFFFAOYSA-N
Compound name
2,6-bis(2-hydroxyethoxymethyl)-1,1-dioxo-1,2,6-thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.0678 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07508 157.6
[M+Na]+ 319.05702 165.1
[M-H]- 295.06052 155.6
[M+NH4]+ 314.10162 171.2
[M+K]+ 335.03096 162.9
[M+H-H2O]+ 279.06506 151.4
[M+HCOO]- 341.06600 170.3
[M+CH3COO]- 355.08165 191.9
[M+Na-2H]- 317.04247 160.4
[M]+ 296.06725 163.6
[M]- 296.06835 163.6
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.