CID 3065180

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

Structural Information

Molecular Formula
C19H20N4O2S
SMILES
CC1=CC(NN1C2=NS(=O)(=O)C3=CC=CC=C3N2C4=CC=CC=C4)(C)C
InChI
InChI=1S/C19H20N4O2S/c1-14-13-19(2,3)21-23(14)18-20-26(24,25)17-12-8-7-11-16(17)22(18)15-9-5-4-6-10-15/h4-13,21H,1-3H3
InChIKey
JVAPIWKXONSDKH-UHFFFAOYSA-N
Compound name
4-phenyl-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

368.1307 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13798 185.4
[M+Na]+ 391.11992 197.6
[M-H]- 367.12342 190.8
[M+NH4]+ 386.16452 199.4
[M+K]+ 407.09386 190.3
[M+H-H2O]+ 351.12796 176.1
[M+HCOO]- 413.12890 196.5
[M+CH3COO]- 427.14455 195.4
[M+Na-2H]- 389.10537 187.4
[M]+ 368.13015 187.4
[M]- 368.13125 187.4
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.