CID 475128

2-[(5-amino-1,1-dioxo-1,2,6-thiadiazin-2-yl)methoxy]ethyl acetate

Structural Information

Molecular Formula
C8H13N3O5S
SMILES
CC(=O)OCCOCN1C=CC(=NS1(=O)=O)N
InChI
InChI=1S/C8H13N3O5S/c1-7(12)16-5-4-15-6-11-3-2-8(9)10-17(11,13)14/h2-3H,4-6H2,1H3,(H2,9,10)
InChIKey
DNXIBBURRPZWKF-UHFFFAOYSA-N
Compound name
2-[(5-amino-1,1-dioxo-1,2,6-thiadiazin-2-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0576 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06488 151.3
[M+Na]+ 286.04682 159.7
[M-H]- 262.05032 152.0
[M+NH4]+ 281.09142 167.1
[M+K]+ 302.02076 158.1
[M+H-H2O]+ 246.05486 144.6
[M+HCOO]- 308.05580 167.7
[M+CH3COO]- 322.07145 192.3
[M+Na-2H]- 284.03227 154.8
[M]+ 263.05705 156.2
[M]- 263.05815 156.2
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.