CID 204430

16288-74-7

Structural Information

Molecular Formula

C₇H₇N₃O₂S

SMILES

C1=CC=C2C(=C1)NC(=NS2(=O)=O)N

InChI

InChI=1S/C7H7N3O2S/c8-7-9-5-3-1-2-4-6(5)13(11,12)10-7/h1-4H,(H3,8,9,10)

InChIKey

BOBJIMXINQEKDG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 197.0259 Da
Monoisotopic Mass: -0.3
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

literature stripe

Patent stripe

patents stripe