CID 92362

60374-43-8

Structural Information

Molecular Formula
C10H12N2O4S
SMILES
CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O
InChI
InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3
InChIKey
WJJLUCLOKVGHGK-UHFFFAOYSA-N
Compound name
8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2lambda6,1,3-benzothiadiazin-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1
Patents

256.0518 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.05908 154.2
[M+Na]+ 279.04102 165.3
[M+NH4]+ 274.08562 161.5
[M+K]+ 295.01496 157.7
[M-H]- 255.04452 152.9
[M+Na-2H]- 277.02647 157.9
[M]+ 256.05125 155.7
[M]- 256.05235 155.7
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