CID 474939

1-benzyl-2,2-dioxo-5h-imidazo[4,5-c][1,2,6]thiadiazin-4-amine

Structural Information

Molecular Formula
C11H11N5O2S
SMILES
C1=CC=C(C=C1)CN2C3=C(C(=NS2(=O)=O)N)NC=N3
InChI
InChI=1S/C11H11N5O2S/c12-10-9-11(14-7-13-9)16(19(17,18)15-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,15)(H,13,14)
InChIKey
KOAOOEUMUAECSK-UHFFFAOYSA-N
Compound name
1-benzyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.06335 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07063 158.0
[M+Na]+ 300.05257 169.8
[M-H]- 276.05607 159.8
[M+NH4]+ 295.09717 173.1
[M+K]+ 316.02651 163.6
[M+H-H2O]+ 260.06061 150.3
[M+HCOO]- 322.06155 172.2
[M+CH3COO]- 336.07720 169.2
[M+Na-2H]- 298.03802 162.6
[M]+ 277.06280 158.4
[M]- 277.06390 158.4
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.