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]+ 298.10423 166.5
[M+Na]+ 320.08617 172.5
[M-H]- 296.08967 170.5
[M+NH4]+ 315.13077 182.2
[M+K]+ 336.06011 165.8
[M+H-H2O]+ 280.09421 159.6
[M+HCOO]- 342.09515 176.5
[M+CH3COO]- 356.11080 203.4
[M+Na-2H]- 318.07162 162.4
[M]+ 297.09640 163.1
[M]- 297.09750 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.