CID 135446897

2-[(4-acetyl-3,5-diamino-1,1-dioxo-1,2,6-thiadiazin-2-yl)methoxy]ethyl acetate

Structural Information

Molecular Formula
C10H16N4O6S
SMILES
C/C(=C\1/C(=NS(=O)(=O)N(C1=N)COCCOC(=O)C)N)/O
InChI
InChI=1S/C10H16N4O6S/c1-6(15)8-9(11)13-21(17,18)14(10(8)12)5-19-3-4-20-7(2)16/h12,15H,3-5H2,1-2H3,(H2,11,13)/b8-6+,12-10?
InChIKey
XOVDVMNUIARQNH-IIXGYHIASA-N
Compound name
2-[[(4E)-5-amino-4-(1-hydroxyethylidene)-3-imino-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

320.07904 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08632 164.7
[M+Na]+ 343.06826 171.5
[M-H]- 319.07176 163.7
[M+NH4]+ 338.11286 177.1
[M+K]+ 359.04220 168.9
[M+H-H2O]+ 303.07630 158.4
[M+HCOO]- 365.07724 177.8
[M+CH3COO]- 379.09289 205.6
[M+Na-2H]- 341.05371 164.8
[M]+ 320.07849 166.5
[M]- 320.07959 166.5
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.