CID 461524

2-(2-ethylpiperidyl)benzo[d]1,3,2-dithiazolin-1-one

Structural Information

Molecular Formula
C13H18N2OS2
SMILES
CCC1CCCCN1N2SC3=CC=CC=C3S2=O
InChI
InChI=1S/C13H18N2OS2/c1-2-11-7-5-6-10-14(11)15-17-12-8-3-4-9-13(12)18(15)16/h3-4,8-9,11H,2,5-7,10H2,1H3
InChIKey
OTTCKTKQNAXDHC-UHFFFAOYSA-N
Compound name
2-(2-ethylpiperidin-1-yl)-1lambda4,3,2-benzodithiazole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.08606 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09334 160.3
[M+Na]+ 305.07528 168.7
[M-H]- 281.07878 164.6
[M+NH4]+ 300.11988 177.6
[M+K]+ 321.04922 163.5
[M+H-H2O]+ 265.08332 154.0
[M+HCOO]- 327.08426 167.8
[M+CH3COO]- 341.09991 171.0
[M+Na-2H]- 303.06073 158.7
[M]+ 282.08551 159.9
[M]- 282.08661 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.