CID 75525911

1788530-14-2

Structural Information

Molecular Formula
C8H13N3O2S
SMILES
CN1C=C(C=N1)C2CS(=O)(=O)CCN2
InChI
InChI=1S/C8H13N3O2S/c1-11-5-7(4-10-11)8-6-14(12,13)3-2-9-8/h4-5,8-9H,2-3,6H2,1H3
InChIKey
AEYACIYNEYLFGQ-UHFFFAOYSA-N
Compound name
3-(1-methylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

215.07285 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08013 144.1
[M+Na]+ 238.06207 153.5
[M-H]- 214.06557 146.0
[M+NH4]+ 233.10667 162.5
[M+K]+ 254.03601 150.1
[M+H-H2O]+ 198.07011 137.5
[M+HCOO]- 260.07105 157.4
[M+CH3COO]- 274.08670 156.1
[M+Na-2H]- 236.04752 145.9
[M]+ 215.07230 142.4
[M]- 215.07340 142.4
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

patents stripe