CID 155397

70661-84-6

Structural Information

Molecular Formula

C₇H₇N₃O₂S

SMILES

CN1C=NS(=O)(=O)C2=C1N=CC=C2

InChI

InChI=1S/C7H7N3O2S/c1-10-5-9-13(11,12)6-3-2-4-8-7(6)10/h2-5H,1H3

InChIKey

DTJGMGURMOPTCG-UHFFFAOYSA-N

Compound name

4-methylpyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.0259 Da
Monoisotopic Mass: -0.2
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]+	198.03318	135.6
[M+Na]+	220.01512	147.8
[M-H]-	196.01862	137.0
[M+NH4]+	215.05972	154.8
[M+K]+	235.98906	144.6
[M+H-H2O]+	180.02316	128.8
[M+HCOO]-	242.02410	151.0
[M+CH3COO]-	256.03975	149.1
[M+Na-2H]-	218.00057	143.8
[M]+	197.02535	138.6
[M]-	197.02645	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe