CID 100717622

3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

Structural Information

Molecular Formula
C8H8N2O3S2
SMILES
CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=O
InChI
InChI=1S/C8H8N2O3S2/c1-10-6-3-2-5(15(9,12)13)4-7(6)14-8(10)11/h2-4H,1H3,(H2,9,12,13)
InChIKey
UDXNNQHAXIMTFL-UHFFFAOYSA-N
Compound name
3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.99763 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.00491 148.7
[M+Na]+ 266.98685 161.8
[M-H]- 242.99035 152.9
[M+NH4]+ 262.03145 168.6
[M+K]+ 282.96079 156.7
[M+H-H2O]+ 226.99489 144.0
[M+HCOO]- 288.99583 163.4
[M+CH3COO]- 303.01148 188.5
[M+Na-2H]- 264.97230 152.5
[M]+ 243.99708 154.2
[M]- 243.99818 154.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.