CID 3056899

Rhodanine, 5-piperidinomethylene-, salt with piperidine (1:1)

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]+ 229.046386 149.8
[M+Na]+ 251.028328 156.7
[M-H]- 227.031834 151.6
[M+NH4]+ 246.072933 167.0
[M+K]+ 267.002268 151.1
[M+H-H2O]+ 211.036370 143.9
[M+HCOO]- 273.037311 155.8
[M+CH3COO]- 287.052961 159.9
[M+Na-2H]- 249.013776 145.8
[M]+ 228.03856142 143.8
[M]- 228.03965858 143.8
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.