CID 866378

Brn 1221980

Structural Information

Molecular Formula
C15H17N3OS2
SMILES
C1CCN(CC1)C(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N
InChI
InChI=1S/C15H17N3OS2/c16-13-12(14(19)17-9-5-2-6-10-17)21-15(20)18(13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,16H2
InChIKey
FFZVWPDQPLTXDJ-UHFFFAOYSA-N
Compound name
(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

0
Patents

319.0813 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08858 168.1
[M+Na]+ 342.07052 179.2
[M+NH4]+ 337.11512 176.3
[M+K]+ 358.04446 170.8
[M-H]- 318.07402 173.1
[M+Na-2H]- 340.05597 174.6
[M]+ 319.08075 171.9
[M]- 319.08185 171.9
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.