CID 341519

Brn 5594064

Structural Information

Molecular Formula
C13H14N4O2S
SMILES
CC1=CC(=NN1C2=NS(=O)(=O)C3=CC=CC=C3N2C)C
InChI
InChI=1S/C13H14N4O2S/c1-9-8-10(2)17(14-9)13-15-20(18,19)12-7-5-4-6-11(12)16(13)3/h4-8H,1-3H3
InChIKey
LLEMGBIWINHBOK-UHFFFAOYSA-N
Compound name
3-(3,5-dimethylpyrazol-1-yl)-4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.08374 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09102 163.8
[M+Na]+ 313.07296 177.7
[M-H]- 289.07646 168.0
[M+NH4]+ 308.11756 180.3
[M+K]+ 329.04690 172.5
[M+H-H2O]+ 273.08100 156.0
[M+HCOO]- 335.08194 178.3
[M+CH3COO]- 349.09759 176.3
[M+Na-2H]- 311.05841 166.2
[M]+ 290.08319 168.9
[M]- 290.08429 168.9
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.