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 173.7
[M+Na]+ 343.11992 186.7
[M+NH4]+ 338.16452 182.7
[M+K]+ 359.09386 176.7
[M-H]- 319.12342 174.6
[M+Na-2H]- 341.10537 180.6
[M]+ 320.13015 176.5
[M]- 320.13125 176.5
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.

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No patent data available for this compound.