CID 341521

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

Structural Information

Molecular Formula
C14H18N4O2S
SMILES
CC1=CC(NN1C2=NS(=O)(=O)C3=CC=CC=C3N2C)(C)C
InChI
InChI=1S/C14H18N4O2S/c1-10-9-14(2,3)16-18(10)13-15-21(19,20)12-8-6-5-7-11(12)17(13)4/h5-9,16H,1-4H3
InChIKey
UNNNCHIUOKKUHT-UHFFFAOYSA-N
Compound name
4-methyl-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

306.11505 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12233 167.1
[M+Na]+ 329.10427 180.0
[M-H]- 305.10777 169.6
[M+NH4]+ 324.14887 184.3
[M+K]+ 345.07821 174.5
[M+H-H2O]+ 289.11231 160.1
[M+HCOO]- 351.11325 178.5
[M+CH3COO]- 365.12890 178.5
[M+Na-2H]- 327.08972 169.5
[M]+ 306.11450 170.0
[M]- 306.11560 170.0
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.