CID 503148

2-[(4-amino-2,2-dioxo-5h-imidazo[4,5-c][1,2,6]thiadiazin-1-yl)methoxy]ethyl acetate

Structural Information

Molecular Formula
C9H13N5O5S
SMILES
CC(=O)OCCOCN1C2=C(C(=NS1(=O)=O)N)NC=N2
InChI
InChI=1S/C9H13N5O5S/c1-6(15)19-3-2-18-5-14-9-7(11-4-12-9)8(10)13-20(14,16)17/h4H,2-3,5H2,1H3,(H2,10,13)(H,11,12)
InChIKey
OZKROLKULKLQSF-UHFFFAOYSA-N
Compound name
2-[(4-amino-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-1-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.06375 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.07103 160.8
[M+Na]+ 326.05297 170.8
[M-H]- 302.05647 159.1
[M+NH4]+ 321.09757 174.7
[M+K]+ 342.02691 167.8
[M+H-H2O]+ 286.06101 154.3
[M+HCOO]- 348.06195 173.7
[M+CH3COO]- 362.07760 197.7
[M+Na-2H]- 324.03842 164.0
[M]+ 303.06320 165.7
[M]- 303.06430 165.7
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.