CID 3009794

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

Structural Information

Molecular Formula
C8H14N4O5S
SMILES
CC(=O)OCCOCN1C(=CC(=NS1(=O)=O)N)N
InChI
InChI=1S/C8H14N4O5S/c1-6(13)17-3-2-16-5-12-8(10)4-7(9)11-18(12,14)15/h4H,2-3,5,10H2,1H3,(H2,9,11)
InChIKey
CTNFCESCBCSWHY-UHFFFAOYSA-N
Compound name
2-[(3,5-diamino-1,1-dioxo-1,2,6-thiadiazin-2-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.06848 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07576 154.6
[M+Na]+ 301.05770 162.9
[M-H]- 277.06120 154.9
[M+NH4]+ 296.10230 169.3
[M+K]+ 317.03164 160.8
[M+H-H2O]+ 261.06574 147.8
[M+HCOO]- 323.06668 171.2
[M+CH3COO]- 337.08233 198.4
[M+Na-2H]- 299.04315 157.1
[M]+ 278.06793 158.1
[M]- 278.06903 158.1
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.