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 170.7
[M+Na]+ 342.07052 178.5
[M-H]- 318.07402 177.1
[M+NH4]+ 337.11512 184.5
[M+K]+ 358.04446 171.5
[M+H-H2O]+ 302.07856 163.2
[M+HCOO]- 364.07950 179.9
[M+CH3COO]- 378.09515 180.5
[M+Na-2H]- 340.05597 167.4
[M]+ 319.08075 167.9
[M]- 319.08185 167.9
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.