CID 3065179

4h-1,2,4-benzothiadiazine, 3-(2,3-dihydro-3,3,5-trimethyl-1h-pyrazol-1-yl)-4-ethyl-, s,s-dioxide

Structural Information

Molecular Formula
C15H20N4O2S
SMILES
CCN1C2=CC=CC=C2S(=O)(=O)N=C1N3C(=CC(N3)(C)C)C
InChI
InChI=1S/C15H20N4O2S/c1-5-18-12-8-6-7-9-13(12)22(20,21)16-14(18)19-11(2)10-15(3,4)17-19/h6-10,17H,5H2,1-4H3
InChIKey
XEEWXIOPRFIUOL-UHFFFAOYSA-N
Compound name
4-ethyl-3-(3,5,5-trimethyl-1H-pyrazol-2-yl)-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1307 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.137976 171.2
[M+Na]+ 343.119918 183.6
[M-H]- 319.123424 173.5
[M+NH4]+ 338.164523 187.8
[M+K]+ 359.093858 177.9
[M+H-H2O]+ 303.127960 164.0
[M+HCOO]- 365.128901 182.2
[M+CH3COO]- 379.144551 182.1
[M+Na-2H]- 341.105366 173.2
[M]+ 320.13015142 174.4
[M]- 320.13124858 174.4
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.