CID 473782

N-(5-ethyl-6-thioxo(1,3,5-thiadiazaperhydroin-3-yl))-4-pyridylcarboxamide

Structural Information

Molecular Formula
C11H14N4OS2
SMILES
CCN1CN(CSC1=S)NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C11H14N4OS2/c1-2-14-7-15(8-18-11(14)17)13-10(16)9-3-5-12-6-4-9/h3-6H,2,7-8H2,1H3,(H,13,16)
InChIKey
CVUMNZKJHYTVRB-UHFFFAOYSA-N
Compound name
N-(5-ethyl-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

282.0609 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06818 159.1
[M+Na]+ 305.05012 165.8
[M-H]- 281.05362 160.8
[M+NH4]+ 300.09472 171.2
[M+K]+ 321.02406 159.8
[M+H-H2O]+ 265.05816 150.9
[M+HCOO]- 327.05910 166.3
[M+CH3COO]- 341.07475 198.2
[M+Na-2H]- 303.03557 159.2
[M]+ 282.06035 156.9
[M]- 282.06145 156.9
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.