CID 13330335

92932-14-4

Structural Information

Molecular Formula

C₇H₇N₃O₂S

SMILES

C1=CC=C2C(=C1)C(=NS(=O)(=O)N2)N

InChI

InChI=1S/C7H7N3O2S/c8-7-5-3-1-2-4-6(5)9-13(11,12)10-7/h1-4,9H,(H2,8,10)

InChIKey

DIGKLMMXQNWSLG-UHFFFAOYSA-N

Compound name

2,2-dioxo-1H-2lambda6,1,3-benzothiadiazin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
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	135.4
[M+Na]+	220.01512	146.3
[M-H]-	196.01862	136.2
[M+NH4]+	215.05972	154.6
[M+K]+	235.98906	141.7
[M+H-H2O]+	180.02316	129.5
[M+HCOO]-	242.02410	151.0
[M+CH3COO]-	256.03975	148.1
[M+Na-2H]-	218.00057	143.0
[M]+	197.02535	134.5
[M]-	197.02645	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe