CID 3056899

Piperidine salt of 5-piperidinomethylenerhodanine

Structural Information

Molecular Formula
C9H12N2OS2
SMILES
C1CCN(CC1)/C=C/2\C(=O)NC(=S)S2
InChI
InChI=1S/C9H12N2OS2/c12-8-7(14-9(13)10-8)6-11-4-2-1-3-5-11/h6H,1-5H2,(H,10,12,13)/b7-6+
InChIKey
WBEZSHQFKUGFMW-VOTSOKGWSA-N
Compound name
(5E)-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.03911 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04639 150.1
[M+Na]+ 251.02833 158.6
[M+NH4]+ 246.07293 158.1
[M+K]+ 267.00227 150.7
[M-H]- 227.03183 151.5
[M+Na-2H]- 249.01378 152.1
[M]+ 228.03856 152.2
[M]- 228.03966 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.