CID 473783

N-(5-propyl-6-thioxo-1,3,5-thiadiazinan-3-yl)pyridine-4-carboxamide

Structural Information

Molecular Formula
C12H16N4OS2
SMILES
CCCN1CN(CSC1=S)NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C12H16N4OS2/c1-2-7-15-8-16(9-19-12(15)18)14-11(17)10-3-5-13-6-4-10/h3-6H,2,7-9H2,1H3,(H,14,17)
InChIKey
XFIHRBZUPJTTHH-UHFFFAOYSA-N
Compound name
N-(5-propyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.07657 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08385 163.0
[M+Na]+ 319.06579 169.3
[M-H]- 295.06929 164.6
[M+NH4]+ 314.11039 174.6
[M+K]+ 335.03973 163.0
[M+H-H2O]+ 279.07383 154.6
[M+HCOO]- 341.07477 169.9
[M+CH3COO]- 355.09042 201.1
[M+Na-2H]- 317.05124 162.7
[M]+ 296.07602 161.1
[M]- 296.07712 161.1
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.