CID 752652

Mls000085352

Structural Information

Molecular Formula
C12H19N3OS2
SMILES
CCN1C(=C(SC1=S)C(=O)NC2CCCCC2)N
InChI
InChI=1S/C12H19N3OS2/c1-2-15-10(13)9(18-12(15)17)11(16)14-8-6-4-3-5-7-8/h8H,2-7,13H2,1H3,(H,14,16)
InChIKey
ZTDNZJCCOHACFV-UHFFFAOYSA-N
Compound name
4-amino-N-cyclohexyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

285.09695 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10423 162.2
[M+Na]+ 308.08617 169.6
[M+NH4]+ 303.13077 169.8
[M+K]+ 324.06011 162.5
[M-H]- 284.08967 165.4
[M+Na-2H]- 306.07162 165.3
[M]+ 285.09640 164.7
[M]- 285.09750 164.7
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.