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]+ 230.095776 148.3
[M+Na]+ 252.077718 157.2
[M-H]- 228.081224 150.0
[M+NH4]+ 247.122323 166.1
[M+K]+ 268.051658 153.6
[M+H-H2O]+ 212.085760 141.4
[M+HCOO]- 274.086701 161.3
[M+CH3COO]- 288.102351 181.8
[M+Na-2H]- 250.063166 149.6
[M]+ 229.08795142 146.9
[M]- 229.08904858 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.