CID 3065177

Brn 5608490

Structural Information

Molecular Formula
C14H16N4O2S
SMILES
CCN1C2=CC=CC=C2S(=O)(=O)N=C1N3C(=CC(=N3)C)C
InChI
InChI=1S/C14H16N4O2S/c1-4-17-12-7-5-6-8-13(12)21(19,20)16-14(17)18-11(3)9-10(2)15-18/h5-9H,4H2,1-3H3
InChIKey
QRJJJSWKOVLHBI-UHFFFAOYSA-N
Compound name
3-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0994 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10668 169.9
[M+Na]+ 327.08862 184.5
[M+NH4]+ 322.13322 178.1
[M+K]+ 343.06256 175.8
[M-H]- 303.09212 171.6
[M+Na-2H]- 325.07407 176.7
[M]+ 304.09885 173.1
[M]- 304.09995 173.1
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.