CID 752651

3-allyl-4-amino-n-cyclohexyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide

Structural Information

Molecular Formula
C13H19N3OS2
SMILES
C=CCN1C(=C(SC1=S)C(=O)NC2CCCCC2)N
InChI
InChI=1S/C13H19N3OS2/c1-2-8-16-11(14)10(19-13(16)18)12(17)15-9-6-4-3-5-7-9/h2,9H,1,3-8,14H2,(H,15,17)
InChIKey
NRVRSTUNOBBWLO-UHFFFAOYSA-N
Compound name
4-amino-N-cyclohexyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

297.09695 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.104226 166.5
[M+Na]+ 320.086168 172.5
[M-H]- 296.089674 170.5
[M+NH4]+ 315.130773 182.2
[M+K]+ 336.060108 165.8
[M+H-H2O]+ 280.094210 159.6
[M+HCOO]- 342.095151 176.5
[M+CH3COO]- 356.110801 203.4
[M+Na-2H]- 318.071616 162.4
[M]+ 297.09640142 163.1
[M]- 297.09749858 163.1
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.