CID 752652

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

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 162.6
[M+Na]+ 308.08617 168.8
[M-H]- 284.08967 166.8
[M+NH4]+ 303.13077 178.9
[M+K]+ 324.06011 163.0
[M+H-H2O]+ 268.09421 155.8
[M+HCOO]- 330.09515 172.8
[M+CH3COO]- 344.11080 201.2
[M+Na-2H]- 306.07162 159.0
[M]+ 285.09640 159.7
[M]- 285.09750 159.7
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.