CID 3054010

2h-pyrido(2,3-e)-1,2,4-thiadiazin-3-amine, 1,1-dioxide

Structural Information

Molecular Formula

C₆H₆N₄O₂S

SMILES

C1=CC2=C(NC(=NS2(=O)=O)N)N=C1

InChI

InChI=1S/C6H6N4O2S/c7-6-9-5-4(2-1-3-8-5)13(11,12)10-6/h1-3H,(H3,7,8,9,10)

InChIKey

UQTJYTXARBUZHM-UHFFFAOYSA-N

Compound name

1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 198.02115 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	199.028426	135.7
[M+Na]+	221.010368	147.1
[M-H]-	197.013874	135.3
[M+NH4]+	216.054973	153.6
[M+K]+	236.984308	142.6
[M+H-H2O]+	181.018410	129.4
[M+HCOO]-	243.019351	150.4
[M+CH3COO]-	257.035001	148.1
[M+Na-2H]-	218.995816	143.8
[M]+	198.02060142	134.9
[M]-	198.02169858	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe