CID 3009800

2-[(3,5-diamino-1,1-dioxo-1,2,6-thiadiazin-2-yl)methoxy]ethanol

Structural Information

Molecular Formula
C6H12N4O4S
SMILES
C1=C(N(S(=O)(=O)N=C1N)COCCO)N
InChI
InChI=1S/C6H12N4O4S/c7-5-3-6(8)10(4-14-2-1-11)15(12,13)9-5/h3,11H,1-2,4,8H2,(H2,7,9)
InChIKey
LJZCXHCLYQEUMC-UHFFFAOYSA-N
Compound name
2-[(3,5-diamino-1,1-dioxo-1,2,6-thiadiazin-2-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.05792 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06520 144.3
[M+Na]+ 259.04714 153.3
[M-H]- 235.05064 143.5
[M+NH4]+ 254.09174 160.2
[M+K]+ 275.02108 150.2
[M+H-H2O]+ 219.05518 138.0
[M+HCOO]- 281.05612 160.7
[M+CH3COO]- 295.07177 188.4
[M+Na-2H]- 257.03259 148.1
[M]+ 236.05737 145.2
[M]- 236.05847 145.2
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.