CID 5019980

4-amino-3-ethyl-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3h)-thione

Structural Information

Molecular Formula
C11H17N3OS2
SMILES
CCN1C(=C(SC1=S)C(=O)N2CCCCC2)N
InChI
InChI=1S/C11H17N3OS2/c1-2-14-9(12)8(17-11(14)16)10(15)13-6-4-3-5-7-13/h2-7,12H2,1H3
InChIKey
ZPFFCCWMGFBOSX-UHFFFAOYSA-N
Compound name
(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

271.0813 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08858 159.2
[M+Na]+ 294.07052 166.9
[M-H]- 270.07402 162.5
[M+NH4]+ 289.11512 175.2
[M+K]+ 310.04446 161.4
[M+H-H2O]+ 254.07856 152.5
[M+HCOO]- 316.07950 167.7
[M+CH3COO]- 330.09515 196.0
[M+Na-2H]- 292.05597 154.9
[M]+ 271.08075 157.1
[M]- 271.08185 157.1
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.