CID 135404041

N-methyl-1,2-benzothiazol-3-amine 1,1-dioxide

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
CN=C1C2=CC=CC=C2S(=O)(=O)N1
InChI
InChI=1S/C8H8N2O2S/c1-9-8-6-4-2-3-5-7(6)13(11,12)10-8/h2-5H,1H3,(H,9,10)
InChIKey
YETRYHHSQIVPAU-UHFFFAOYSA-N
Compound name
N-methyl-1,1-dioxo-1,2-benzothiazol-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

196.03065 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.037926 135.9
[M+Na]+ 219.019868 147.2
[M-H]- 195.023374 140.1
[M+NH4]+ 214.064473 159.5
[M+K]+ 234.993808 143.6
[M+H-H2O]+ 179.027910 131.1
[M+HCOO]- 241.028851 155.6
[M+CH3COO]- 255.044501 180.1
[M+Na-2H]- 217.005316 141.9
[M]+ 196.03010142 137.8
[M]- 196.03119858 137.8
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

patents stripe