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 149.8
[M+Na]+ 251.02833 156.7
[M-H]- 227.03183 151.6
[M+NH4]+ 246.07293 167.0
[M+K]+ 267.00227 151.1
[M+H-H2O]+ 211.03637 143.9
[M+HCOO]- 273.03731 155.8
[M+CH3COO]- 287.05296 159.9
[M+Na-2H]- 249.01378 145.8
[M]+ 228.03856 143.8
[M]- 228.03966 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.