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]+ 213.044076 139.8
[M+Na]+ 235.026018 152.0
[M-H]- 211.029524 140.9
[M+NH4]+ 230.070623 158.1
[M+K]+ 250.999958 148.1
[M+H-H2O]+ 195.034060 133.2
[M+HCOO]- 257.035001 155.5
[M+CH3COO]- 271.050651 152.8
[M+Na-2H]- 233.011466 147.1
[M]+ 212.03625142 141.5
[M]- 212.03734858 141.5
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.