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]+ 199.053576 137.8
[M+Na]+ 221.035518 147.6
[M-H]- 197.039024 137.2
[M+NH4]+ 216.080123 156.8
[M+K]+ 237.009458 142.7
[M+H-H2O]+ 181.043560 132.3
[M+HCOO]- 243.044501 149.7
[M+CH3COO]- 257.060151 149.6
[M+Na-2H]- 219.020966 143.8
[M]+ 198.04575142 135.7
[M]- 198.04684858 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