CID 21829532

2h-1,2,4-benzothiadiazine, 3,4-dihydro-3-methyl-, 1,1-dioxide

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
CC1NC2=CC=CC=C2S(=O)(=O)N1
InChI
InChI=1S/C8H10N2O2S/c1-6-9-7-4-2-3-5-8(7)13(11,12)10-6/h2-6,9-10H,1H3
InChIKey
JXIUDFUSAVZJDS-UHFFFAOYSA-N
Compound name
3-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

198.0463 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05358 137.8
[M+Na]+ 221.03552 147.6
[M-H]- 197.03902 137.2
[M+NH4]+ 216.08012 156.8
[M+K]+ 237.00946 142.7
[M+H-H2O]+ 181.04356 132.3
[M+HCOO]- 243.04450 149.7
[M+CH3COO]- 257.06015 149.6
[M+Na-2H]- 219.02097 143.8
[M]+ 198.04575 135.7
[M]- 198.04685 135.7
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