CID 3054011

Brn 1077473

Structural Information

Molecular Formula
C7H8N4O2S
SMILES
CN1C2=C(C=CC=N2)S(=O)(=O)N=C1N
InChI
InChI=1S/C7H8N4O2S/c1-11-6-5(3-2-4-9-6)14(12,13)10-7(11)8/h2-4H,1H3,(H2,8,10)
InChIKey
IWKMIUJGXTVQKW-UHFFFAOYSA-N
Compound name
4-methyl-1,1-dioxopyrido[2,3-e][1,2,4]thiadiazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0368 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04408 141.5
[M+Na]+ 235.02602 154.4
[M+NH4]+ 230.07062 150.1
[M+K]+ 250.99996 145.5
[M-H]- 211.02952 142.2
[M+Na-2H]- 233.01147 148.2
[M]+ 212.03625 143.9
[M]- 212.03735 143.9
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.