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]+ 321.13798 171.2
[M+Na]+ 343.11992 183.6
[M-H]- 319.12342 173.5
[M+NH4]+ 338.16452 187.8
[M+K]+ 359.09386 177.9
[M+H-H2O]+ 303.12796 164.0
[M+HCOO]- 365.12890 182.2
[M+CH3COO]- 379.14455 182.1
[M+Na-2H]- 341.10537 173.2
[M]+ 320.13015 174.4
[M]- 320.13125 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.