CID 3037963

Brn 0200109

Structural Information

Molecular Formula
C10H14N2OS2
SMILES
CN1C(=O)/C(=C\N2CCCCC2)/SC1=S
InChI
InChI=1S/C10H14N2OS2/c1-11-9(13)8(15-10(11)14)7-12-5-3-2-4-6-12/h7H,2-6H2,1H3/b8-7+
InChIKey
YHQIVJYVWFEHBL-BQYQJAHWSA-N
Compound name
(5E)-3-methyl-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

242.05475 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06203 153.5
[M+Na]+ 265.04397 161.2
[M-H]- 241.04747 156.8
[M+NH4]+ 260.08857 171.1
[M+K]+ 281.01791 156.2
[M+H-H2O]+ 225.05201 147.3
[M+HCOO]- 287.05295 160.6
[M+CH3COO]- 301.06860 187.9
[M+Na-2H]- 263.02942 148.7
[M]+ 242.05420 150.0
[M]- 242.05530 150.0
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.