CID 75525951

1823755-17-4

Structural Information

Molecular Formula
C9H15N3O2S
SMILES
CCN1C=C(C=N1)C2CS(=O)(=O)CCN2
InChI
InChI=1S/C9H15N3O2S/c1-2-12-6-8(5-11-12)9-7-15(13,14)4-3-10-9/h5-6,9-10H,2-4,7H2,1H3
InChIKey
YAQKHIPQBSJHGZ-UHFFFAOYSA-N
Compound name
3-(1-ethylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0885 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09578 148.3
[M+Na]+ 252.07772 157.2
[M-H]- 228.08122 150.0
[M+NH4]+ 247.12232 166.1
[M+K]+ 268.05166 153.6
[M+H-H2O]+ 212.08576 141.4
[M+HCOO]- 274.08670 161.3
[M+CH3COO]- 288.10235 181.8
[M+Na-2H]- 250.06317 149.6
[M]+ 229.08795 146.9
[M]- 229.08905 146.9
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.