CID 118625

Schembl6264339

Structural Information

Molecular Formula
C11H16N2OS2
SMILES
CCN1C(=O)C(=CN2CCCCC2)SC1=S
InChI
InChI=1S/C11H16N2OS2/c1-2-13-10(14)9(16-11(13)15)8-12-6-4-3-5-7-12/h8H,2-7H2,1H3
InChIKey
MIOJSHGZYGNCOI-UHFFFAOYSA-N
Compound name
3-ethyl-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

256.0704 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07768 157.5
[M+Na]+ 279.05962 164.7
[M-H]- 255.06312 160.7
[M+NH4]+ 274.10422 174.6
[M+K]+ 295.03356 159.5
[M+H-H2O]+ 239.06766 151.2
[M+HCOO]- 301.06860 164.3
[M+CH3COO]- 315.08425 190.8
[M+Na-2H]- 277.04507 152.3
[M]+ 256.06985 154.3
[M]- 256.07095 154.3
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

patents stripe