CID 438384

3-methyl-1.lambda.~4~,2,4-benzothiadiazin-1-ol 1-oxide

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
CC1=NS(=C2C=CC=CC2=N1)(=O)O
InChI
InChI=1S/C8H8N2O2S/c1-6-9-7-4-2-3-5-8(7)13(11,12)10-6/h2-5H,1H3,(H,9,10,11,12)
InChIKey
UPRMTMHUXKUYQW-UHFFFAOYSA-N
Compound name
2-hydroxy-4-methyl-2lambda6-thia-3,5-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.03065 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03793 134.4
[M+Na]+ 219.01987 147.6
[M-H]- 195.02337 136.6
[M+NH4]+ 214.06447 154.7
[M+K]+ 234.99381 143.5
[M+H-H2O]+ 179.02791 128.6
[M+HCOO]- 241.02885 152.1
[M+CH3COO]- 255.04450 148.7
[M+Na-2H]- 217.00532 143.8
[M]+ 196.03010 139.0
[M]- 196.03120 139.0
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.