CID 24835387

3-idrazino-1,2,4-benzotiadiazina-1,1-diossido [italian]

Structural Information

Molecular Formula
C7H8N4O2S
SMILES
C1=CC=C2C(=C1)NC(=NS2(=O)=O)NN
InChI
InChI=1S/C7H8N4O2S/c8-10-7-9-5-3-1-2-4-6(5)14(12,13)11-7/h1-4H,8H2,(H2,9,10,11)
InChIKey
WEZVWNMDSNVKGL-UHFFFAOYSA-N
Compound name
(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

212.0368 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04408 138.1
[M+Na]+ 235.02602 148.2
[M-H]- 211.02952 138.8
[M+NH4]+ 230.07062 156.4
[M+K]+ 250.99996 143.5
[M+H-H2O]+ 195.03406 132.0
[M+HCOO]- 257.03500 154.7
[M+CH3COO]- 271.05065 150.3
[M+Na-2H]- 233.01147 146.6
[M]+ 212.03625 136.4
[M]- 212.03735 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe